============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 18 1.000 40.174 -4.649 -11.358 -99.200 -91.000 TYR 35 0.840 29.946 22.129 -5.612 -99.200 -91.000 HIS 38 0.900 38.497 14.454 0.442 -99.200 -91.000 HIS 39 0.900 33.239 8.694 -1.938 -99.200 -91.000 TYR 40 0.840 29.144 7.726 2.870 -99.200 -91.000 HIS 46 0.900 24.688 8.998 12.963 -99.200 -91.000 PHE 47 1.000 32.051 5.058 6.071 -99.200 -91.000 TRP 48 1.040 34.272 9.411 7.143 -99.200 -91.000 TRP6 48 1.020 36.009 8.047 6.297 -99.200 -91.000 PHE 52 1.000 38.155 5.361 17.123 -99.200 -91.000 HIS 63 0.900 35.552 15.520 5.290 -99.200 -91.000 HIS 67 0.900 40.800 10.274 -2.684 -99.200 -91.000 TYR 73 0.840 42.021 1.689 7.873 -99.200 -91.000 PHE 77 1.000 34.432 5.269 1.029 -99.200 -91.000 PHE 93 1.000 16.751 5.708 -7.804 -99.200 -91.000 TYR 107 0.840 36.874 -1.286 -10.357 -99.200 -91.000 PHE 114 1.000 23.910 -3.510 -2.057 -99.200 -91.000 TYR 120 0.840 19.751 -6.010 -1.090 -99.200 -91.000 PHE 123 1.000 22.540 -4.329 -6.865 -99.200 -91.000 PHE 128 1.000 20.356 -9.868 -6.494 -99.200 -91.000 PHE 137 1.000 18.643 -2.685 8.481 -99.200 -91.000 HIS 142 0.900 19.044 -12.803 -3.888 -99.200 -91.000 TYR 152 0.840 26.733 -6.692 6.756 -99.200 -91.000 PHE 164 1.000 18.259 0.760 12.606 -99.200 -91.000 HIS 172 0.900 25.374 -6.276 16.817 -99.200 -91.000 TYR 173 0.840 22.479 -3.472 11.956 -99.200 -91.000 TYR 174 0.840 29.235 1.100 10.041 -99.200 -91.000 TYR 198 0.840 22.712 -0.802 20.339 -99.200 -91.000 PHE 200 1.000 17.530 1.280 18.378 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d07A1 GLY 113 HA2 0.00 -0.06 0.09 -0.51 4.01 3.53 2d07A1 GLY 113 HA3 0.00 -0.11 0.19 -0.51 4.01 3.58 2d07A1 VAL 114 H 0.00 0.04 0.06 -0.55 8.24 7.79 2d07A1 VAL 114 HA 0.00 -0.07 0.37 -0.75 4.13 3.67 2d07A1 VAL 114 HB -0.00 -0.03 0.13 -0.04 2.12 2.18 2d07A1 VAL 114 HG13 -0.00 0.01 0.10 -0.04 0.97 1.04 2d07A1 VAL 114 HG23 -0.00 -0.01 -0.08 -0.04 0.95 0.82 2d07A1 SER 115 H 0.00 -0.00 0.18 -0.55 8.46 8.09 2d07A1 SER 115 HA 0.00 -0.12 0.41 -0.75 4.49 4.02 2d07A1 SER 115 HB2 -0.00 -0.09 -0.21 -0.04 3.95 3.61 2d07A1 SER 115 HB3 -0.00 0.32 0.54 -0.04 3.93 4.75 2d07A1 GLU 116 H 0.00 0.14 0.07 -0.55 8.60 8.27 2d07A1 GLU 116 HA 0.00 0.17 0.86 -0.75 4.29 4.56 2d07A1 GLU 116 HB2 0.00 -0.04 0.21 -0.04 2.09 2.22 2d07A1 GLU 116 HB3 0.00 0.01 0.09 -0.04 1.99 2.05 2d07A1 GLU 116 HG2 0.00 0.08 -0.04 -0.04 2.34 2.34 2d07A1 GLU 116 HG3 0.00 0.02 -0.40 -0.04 2.34 1.93 2d07A1 ALA 117 H 0.00 0.20 0.03 -0.55 8.40 8.09 2d07A1 ALA 117 HA 0.00 0.23 0.84 -0.75 4.34 4.66 2d07A1 ALA 117 HB3 -0.00 0.01 -0.01 -0.04 1.41 1.36 2d07A1 GLU 118 H 0.01 0.05 0.02 -0.55 8.60 8.13 2d07A1 GLU 118 HA 0.01 0.04 0.45 -0.75 4.29 4.04 2d07A1 GLU 118 HB2 0.03 -0.03 0.12 -0.04 2.09 2.16 2d07A1 GLU 118 HB3 0.04 0.11 0.03 -0.04 1.99 2.13 2d07A1 GLU 118 HG2 0.02 0.05 0.05 -0.04 2.34 2.42 2d07A1 GLU 118 HG3 0.01 -0.02 0.06 -0.04 2.34 2.35 2d07A1 LEU 119 H 0.01 0.00 0.26 -0.55 8.37 8.10 2d07A1 LEU 119 HA 0.02 0.09 0.73 -0.75 4.35 4.44 2d07A1 LEU 119 HB2 0.01 -0.14 0.12 -0.04 1.64 1.59 2d07A1 LEU 119 HB3 0.00 0.03 0.09 -0.04 1.64 1.72 2d07A1 LEU 119 HG -0.01 0.17 -0.00 -0.04 1.64 1.75 2d07A1 LEU 119 HD13 -0.01 -0.03 0.02 -0.04 0.93 0.86 2d07A1 LEU 119 HD23 -0.01 0.02 0.17 -0.04 0.89 1.03 2d07A1 LEU 120 H 0.04 0.04 0.17 -0.55 8.37 8.06 2d07A1 LEU 120 HA 0.15 0.15 0.58 -0.75 4.35 4.47 2d07A1 LEU 120 HB2 0.03 -0.08 0.18 -0.04 1.64 1.74 2d07A1 LEU 120 HB3 0.05 -0.01 0.03 -0.04 1.64 1.67 2d07A1 LEU 120 HG 0.02 0.01 0.04 -0.04 1.64 1.67 2d07A1 LEU 120 HD13 0.00 -0.01 0.02 -0.04 0.93 0.91 2d07A1 LEU 120 HD23 0.01 0.01 -0.03 -0.04 0.89 0.84 2d07A1 THR 121 H 0.03 -0.05 0.10 -0.55 8.28 7.81 2d07A1 THR 121 HA 0.05 0.20 0.58 -0.75 4.39 4.46 2d07A1 THR 121 HB -0.01 0.02 -0.06 -0.04 4.32 4.24 2d07A1 THR 121 HG23 0.01 -0.03 0.06 -0.04 1.22 1.22 2d07A1 LYS 122 H -0.01 0.51 0.36 -0.55 8.42 8.72 2d07A1 LYS 122 HA -0.11 0.09 0.69 -0.75 4.32 4.23 2d07A1 LYS 122 HB2 -0.40 0.14 -0.27 -0.04 1.87 1.30 2d07A1 LYS 122 HB3 -0.32 -0.08 -0.08 -0.04 1.79 1.27 2d07A1 LYS 122 HG2 -0.26 0.07 -0.16 -0.04 1.46 1.07 2d07A1 LYS 122 HG3 -0.24 -0.04 0.06 -0.04 1.46 1.20 2d07A1 LYS 122 HD2 -0.79 -0.00 -0.06 -0.04 1.69 0.79 2d07A1 LYS 122 HD3 -0.96 -0.06 -0.26 -0.04 1.68 0.36 2d07A1 LYS 122 HE2 -0.30 0.00 0.02 -0.04 2.99 2.67 2d07A1 LYS 122 HE3 -0.25 0.14 -0.01 -0.04 2.99 2.83 2d07A1 THR 123 H -0.10 0.21 0.12 -0.55 8.28 7.97 2d07A1 THR 123 HA -0.07 0.16 1.14 -0.75 4.39 4.87 2d07A1 THR 123 HB -0.04 0.10 -0.14 -0.04 4.32 4.19 2d07A1 THR 123 HG23 -0.04 -0.02 -0.20 -0.04 1.22 0.92 2d07A1 LEU 124 H -0.09 0.20 0.13 -0.55 8.37 8.06 2d07A1 LEU 124 HA -0.14 0.21 0.65 -0.75 4.35 4.32 2d07A1 LEU 124 HB2 -0.20 -0.06 -0.11 -0.04 1.64 1.22 2d07A1 LEU 124 HB3 -0.19 -0.06 0.06 -0.04 1.64 1.41 2d07A1 LEU 124 HG -0.46 0.18 -0.39 -0.04 1.64 0.93 2d07A1 LEU 124 HD13 -0.29 0.05 -0.27 -0.04 0.93 0.38 2d07A1 LEU 124 HD23 -0.84 -0.07 -0.31 -0.04 0.89 -0.37 2d07A1 PRO 125 HA 0.00 -0.05 0.41 -0.51 4.44 4.29 2d07A1 PRO 125 HB2 0.05 0.07 0.04 -0.04 2.28 2.40 2d07A1 PRO 125 HB3 0.03 -0.01 0.11 -0.04 2.02 2.10 2d07A1 PRO 125 HG2 -0.00 0.02 0.10 -0.04 2.03 2.11 2d07A1 PRO 125 HG3 -0.02 0.01 0.06 -0.04 2.03 2.04 2d07A1 PRO 125 HD2 -0.05 0.09 0.18 -0.04 3.68 3.86 2d07A1 PRO 125 HD3 -0.08 0.36 0.39 -0.04 3.65 4.28 2d07A1 ASP 126 H 0.02 0.02 0.17 -0.55 8.40 8.06 2d07A1 ASP 126 HA 0.08 0.05 0.40 -0.75 4.63 4.41 2d07A1 ASP 126 HB2 -0.02 -0.05 0.09 -0.04 2.71 2.70 2d07A1 ASP 126 HB3 -0.07 0.08 0.07 -0.04 2.70 2.74 2d07A1 ILE 127 H -0.06 0.57 0.19 -0.55 8.25 8.39 2d07A1 ILE 127 HA -0.04 0.18 0.80 -0.75 4.18 4.37 2d07A1 ILE 127 HB 0.05 -0.16 0.26 -0.04 1.89 2.00 2d07A1 ILE 127 HG12 -0.21 0.08 -0.03 -0.04 1.49 1.28 2d07A1 ILE 127 HG13 -0.07 0.09 -0.32 -0.04 1.21 0.87 2d07A1 ILE 127 HG23 0.04 0.04 0.06 -0.04 0.93 1.02 2d07A1 ILE 127 HD13 -0.40 0.00 -0.18 -0.04 0.88 0.26 2d07A1 LEU 128 H -0.15 0.28 -0.02 -0.55 8.37 7.94 2d07A1 LEU 128 HA -0.28 0.14 0.91 -0.75 4.35 4.36 2d07A1 LEU 128 HB2 -0.66 -0.03 -0.02 -0.04 1.64 0.90 2d07A1 LEU 128 HB3 -1.22 0.08 -0.07 -0.04 1.64 0.40 2d07A1 LEU 128 HG -0.21 -0.01 -0.35 -0.04 1.64 1.04 2d07A1 LEU 128 HD13 -0.19 -0.01 -0.10 -0.04 0.93 0.59 2d07A1 LEU 128 HD23 -0.25 0.02 -0.14 -0.04 0.89 0.48 2d07A1 THR 129 H -0.27 0.33 0.15 -0.55 8.28 7.94 2d07A1 THR 129 HA 0.03 0.12 0.64 -0.75 4.39 4.43 2d07A1 THR 129 HB 0.12 -0.02 0.11 -0.04 4.32 4.49 2d07A1 THR 129 HG23 0.02 -0.01 -0.27 -0.04 1.22 0.92 2d07A1 PHE 130 H 0.47 0.08 0.12 -0.55 8.34 8.46 2d07A1 PHE 130 HA 0.20 0.26 0.68 -0.75 4.62 5.00 2d07A1 PHE 130 HB2 0.08 -0.06 0.09 -0.04 3.15 3.22 2d07A1 PHE 130 HB3 0.07 0.06 0.09 -0.04 3.06 3.23 2d07A1 PHE 130 HD2 0.10 0.00 0.05 -0.04 7.28 7.40 2d07A1 PHE 130 HE2 -0.04 0.09 -0.02 -0.04 7.38 7.38 2d07A1 PHE 130 HZ -0.23 -0.04 -0.08 -0.04 7.32 6.92 2d07A1 ASN 131 H 0.19 0.36 0.17 -0.55 8.53 8.71 2d07A1 ASN 131 HA 0.09 0.11 0.33 -0.75 4.76 4.54 2d07A1 ASN 131 HB2 0.10 0.18 -0.00 -0.04 2.88 3.11 2d07A1 ASN 131 HB3 0.06 -0.02 0.18 -0.04 2.79 2.98 2d07A1 ASN 131 HD21 0.07 -0.03 0.00 -0.04 7.03 7.03 2d07A1 ASN 131 HD22 0.07 0.06 0.04 -0.04 7.74 7.87 2d07A1 LEU 132 H 0.03 0.12 -0.23 -0.55 8.37 7.74 2d07A1 LEU 132 HA 0.00 0.13 0.56 -0.75 4.35 4.29 2d07A1 LEU 132 HB2 -0.05 -0.06 -0.08 -0.04 1.64 1.41 2d07A1 LEU 132 HB3 -0.06 0.11 -0.09 -0.04 1.64 1.56 2d07A1 LEU 132 HG -0.03 0.11 -0.28 -0.04 1.64 1.39 2d07A1 LEU 132 HD13 -0.15 -0.03 -0.03 -0.04 0.93 0.68 2d07A1 LEU 132 HD23 -0.02 -0.00 -0.31 -0.04 0.89 0.52 2d07A1 ASP 133 H -0.02 0.41 0.38 -0.55 8.40 8.63 2d07A1 ASP 133 HA -0.02 0.05 0.68 -0.75 4.63 4.59 2d07A1 ASP 133 HB2 -0.02 0.13 0.22 -0.04 2.71 3.00 2d07A1 ASP 133 HB3 -0.03 -0.07 0.07 -0.04 2.70 2.63 2d07A1 ILE 134 H -0.07 0.60 0.31 -0.55 8.25 8.54 2d07A1 ILE 134 HA -0.11 0.29 0.98 -0.75 4.18 4.59 2d07A1 ILE 134 HB -0.12 0.00 0.04 -0.04 1.89 1.77 2d07A1 ILE 134 HG12 -0.14 0.02 -0.13 -0.04 1.49 1.21 2d07A1 ILE 134 HG13 -0.09 -0.05 -0.56 -0.04 1.21 0.47 2d07A1 ILE 134 HG23 -0.18 -0.03 -0.22 -0.04 0.93 0.46 2d07A1 ILE 134 HD13 -0.12 0.01 -0.12 -0.04 0.88 0.61 2d07A1 VAL 135 H -0.16 0.49 0.24 -0.55 8.24 8.26 2d07A1 VAL 135 HA -0.27 0.15 0.81 -0.75 4.13 4.07 2d07A1 VAL 135 HB -0.17 0.01 0.04 -0.04 2.12 1.96 2d07A1 VAL 135 HG13 -0.19 -0.02 -0.40 -0.04 0.97 0.32 2d07A1 VAL 135 HG23 -0.15 -0.00 -0.23 -0.04 0.95 0.53 2d07A1 ILE 136 H -0.44 0.78 0.31 -0.55 8.25 8.35 2d07A1 ILE 136 HA -0.24 0.13 0.73 -0.75 4.18 4.05 2d07A1 ILE 136 HB -0.40 -0.02 0.21 -0.04 1.89 1.64 2d07A1 ILE 136 HG12 -0.55 0.12 0.01 -0.04 1.49 1.03 2d07A1 ILE 136 HG13 -0.52 -0.06 -0.06 -0.04 1.21 0.53 2d07A1 ILE 136 HG23 -0.28 -0.03 -0.14 -0.04 0.93 0.44 2d07A1 ILE 136 HD13 -0.17 0.00 -0.13 -0.04 0.88 0.53 2d07A1 ILE 137 H -0.23 0.78 0.39 -0.55 8.25 8.64 2d07A1 ILE 137 HA -0.10 0.37 1.00 -0.75 4.18 4.70 2d07A1 ILE 137 HB -0.55 -0.07 0.03 -0.04 1.89 1.26 2d07A1 ILE 137 HG12 -0.26 -0.00 -0.31 -0.04 1.49 0.88 2d07A1 ILE 137 HG13 -0.35 0.06 -0.40 -0.04 1.21 0.48 2d07A1 ILE 137 HG23 -0.14 -0.01 -0.29 -0.04 0.93 0.44 2d07A1 ILE 137 HD13 -0.79 -0.01 -0.22 -0.04 0.88 -0.19 2d07A1 GLY 138 H 0.03 0.52 0.37 -0.55 8.43 8.80 2d07A1 GLY 138 HA2 0.10 0.18 0.98 -0.51 4.01 4.76 2d07A1 GLY 138 HA3 0.11 -0.00 0.32 -0.51 4.01 3.93 2d07A1 ILE 139 H 0.11 0.13 0.19 -0.55 8.25 8.13 2d07A1 ILE 139 HA 0.16 0.09 0.59 -0.75 4.18 4.27 2d07A1 ILE 139 HB 0.22 0.08 0.01 -0.04 1.89 2.16 2d07A1 ILE 139 HG12 0.11 -0.07 0.22 -0.04 1.49 1.72 2d07A1 ILE 139 HG13 0.09 0.01 0.19 -0.04 1.21 1.46 2d07A1 ILE 139 HG23 0.15 0.00 0.03 -0.04 0.93 1.07 2d07A1 ILE 139 HD13 0.11 0.01 0.03 -0.04 0.88 0.99 2d07A1 ASN 140 H 0.06 0.13 0.06 -0.55 8.53 8.24 2d07A1 ASN 140 HA 0.01 0.35 0.55 -0.75 4.76 4.92 2d07A1 ASN 140 HB2 0.02 0.02 -0.28 -0.04 2.88 2.59 2d07A1 ASN 140 HB3 0.03 -0.12 -0.09 -0.04 2.79 2.57 2d07A1 ASN 140 HD21 -0.03 0.30 -0.37 -0.04 7.03 6.89 2d07A1 ASN 140 HD22 -0.02 0.54 0.04 -0.04 7.74 8.27 2d07A1 PRO 141 HA -0.13 -0.09 0.51 -0.51 4.44 4.22 2d07A1 PRO 141 HB2 -0.11 0.08 -0.01 -0.04 2.28 2.19 2d07A1 PRO 141 HB3 -0.22 -0.02 0.01 -0.04 2.02 1.75 2d07A1 PRO 141 HG2 -0.09 0.16 0.03 -0.04 2.03 2.09 2d07A1 PRO 141 HG3 -0.09 -0.03 -0.07 -0.04 2.03 1.81 2d07A1 PRO 141 HD2 -0.04 0.19 0.03 -0.04 3.68 3.81 2d07A1 PRO 141 HD3 -0.02 0.22 0.11 -0.04 3.65 3.92 2d07A1 GLY 142 H -0.09 0.01 0.19 -0.55 8.43 8.00 2d07A1 GLY 142 HA2 -0.01 0.16 0.42 -0.51 4.01 4.07 2d07A1 GLY 142 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.83 2d07A1 LEU 143 H 0.00 0.15 0.14 -0.55 8.37 8.11 2d07A1 LEU 143 HA 0.07 0.20 0.36 -0.75 4.35 4.23 2d07A1 LEU 143 HB2 0.01 0.00 0.08 -0.04 1.64 1.68 2d07A1 LEU 143 HB3 -0.01 -0.03 0.11 -0.04 1.64 1.66 2d07A1 LEU 143 HG -0.08 0.02 -0.14 -0.04 1.64 1.40 2d07A1 LEU 143 HD13 0.15 0.03 -0.05 -0.04 0.93 1.02 2d07A1 LEU 143 HD23 -0.09 -0.01 0.00 -0.04 0.89 0.75 2d07A1 MET 144 H -0.00 0.09 -0.05 -0.55 8.47 7.96 2d07A1 MET 144 HA 0.05 0.13 0.43 -0.75 4.52 4.38 2d07A1 MET 144 HB2 -0.02 -0.03 0.03 -0.04 2.15 2.09 2d07A1 MET 144 HB3 -0.02 0.08 -0.03 -0.04 2.03 2.02 2d07A1 MET 144 HG2 -0.02 -0.09 0.03 -0.04 2.63 2.50 2d07A1 MET 144 HG3 -0.02 0.10 0.00 -0.04 2.56 2.59 2d07A1 MET 144 HE3 -0.13 -0.02 -0.15 -0.04 2.10 1.76 2d07A1 ALA 145 H -0.04 -0.02 -0.41 -0.55 8.40 7.39 2d07A1 ALA 145 HA -0.09 0.12 0.41 -0.75 4.34 4.04 2d07A1 ALA 145 HB3 -0.16 0.03 0.10 -0.04 1.41 1.33 2d07A1 ALA 146 H -0.03 0.37 -0.33 -0.55 8.40 7.86 2d07A1 ALA 146 HA -0.15 0.03 0.28 -0.75 4.34 3.76 2d07A1 ALA 146 HB3 -0.06 0.02 -0.06 -0.04 1.41 1.26 2d07A1 TYR 147 H 0.18 0.46 -0.07 -0.55 8.29 8.30 2d07A1 TYR 147 HA -0.04 0.10 0.47 -0.75 4.56 4.34 2d07A1 TYR 147 HB2 -0.04 -0.02 0.12 -0.04 3.06 3.09 2d07A1 TYR 147 HB3 -0.02 -0.02 -0.03 -0.04 2.98 2.86 2d07A1 TYR 147 HD2 -0.03 0.07 0.03 -0.04 7.15 7.19 2d07A1 TYR 147 HE2 -0.02 0.02 0.02 -0.04 6.85 6.83 2d07A1 LYS 148 H 0.04 0.68 -0.11 -0.55 8.42 8.48 2d07A1 LYS 148 HA 0.07 0.04 0.51 -0.75 4.32 4.19 2d07A1 LYS 148 HB2 0.00 0.04 0.09 -0.04 1.87 1.96 2d07A1 LYS 148 HB3 0.13 -0.09 -0.01 -0.04 1.79 1.78 2d07A1 LYS 148 HG2 0.04 -0.02 0.01 -0.04 1.46 1.44 2d07A1 LYS 148 HG3 0.02 0.03 0.05 -0.04 1.46 1.52 2d07A1 LYS 148 HD2 -0.16 -0.05 -0.15 -0.04 1.69 1.28 2d07A1 LYS 148 HD3 -0.25 -0.07 -0.05 -0.04 1.68 1.27 2d07A1 LYS 148 HE2 -0.04 -0.05 -0.03 -0.04 2.99 2.82 2d07A1 LYS 148 HE3 -0.11 0.07 -0.03 -0.04 2.99 2.88 2d07A1 GLY 149 H -0.08 0.28 -0.45 -0.55 8.43 7.64 2d07A1 GLY 149 HA2 -0.18 0.07 0.27 -0.51 4.01 3.67 2d07A1 GLY 149 HA3 -0.22 0.06 0.48 -0.51 4.01 3.82 2d07A1 HIS 150 H -0.05 0.28 0.01 -0.55 8.41 8.10 2d07A1 HIS 150 HA 0.04 0.16 0.73 -0.75 4.63 4.81 2d07A1 HIS 150 HB2 0.19 -0.12 -0.22 -0.04 3.26 3.08 2d07A1 HIS 150 HB3 0.21 0.09 -0.06 -0.04 3.20 3.40 2d07A1 HIS 150 HD2 0.14 0.06 -0.27 -0.04 6.97 6.86 2d07A1 HIS 150 HE1 0.09 -0.04 0.04 -0.04 7.75 7.81 2d07A1 HIS 151 H 0.19 0.17 0.10 -0.55 8.41 8.33 2d07A1 HIS 151 HA -0.25 0.07 0.66 -0.75 4.63 4.35 2d07A1 HIS 151 HB2 -0.75 0.01 0.06 -0.04 3.26 2.54 2d07A1 HIS 151 HB3 -0.69 -0.04 -0.06 -0.04 3.20 2.37 2d07A1 HIS 151 HD2 -0.31 -0.01 -0.06 -0.04 6.97 6.55 2d07A1 HIS 151 HE1 -0.11 0.01 -0.27 -0.04 7.75 7.34 2d07A1 TYR 152 H -0.42 0.08 0.14 -0.55 8.29 7.55 2d07A1 TYR 152 HA 0.10 0.02 0.33 -0.75 4.56 4.25 2d07A1 TYR 152 HB2 0.19 0.13 -0.12 -0.04 3.06 3.22 2d07A1 TYR 152 HB3 0.20 -0.13 0.09 -0.04 2.98 3.10 2d07A1 TYR 152 HD2 -0.24 0.04 -0.13 -0.04 7.15 6.79 2d07A1 TYR 152 HE2 -0.07 0.03 -0.05 -0.04 6.85 6.72 2d07A1 PRO 153 HA -0.06 -0.04 0.44 -0.51 4.44 4.27 2d07A1 PRO 153 HB2 -0.31 0.18 -0.05 -0.04 2.28 2.05 2d07A1 PRO 153 HB3 -0.50 0.05 -0.07 -0.04 2.02 1.46 2d07A1 PRO 153 HG2 -0.04 0.02 -0.10 -0.04 2.03 1.88 2d07A1 PRO 153 HG3 -0.09 0.01 -0.28 -0.04 2.03 1.63 2d07A1 PRO 153 HD2 -0.02 -0.09 0.15 -0.04 3.68 3.68 2d07A1 PRO 153 HD3 -0.03 0.36 -0.12 -0.04 3.65 3.82 2d07A1 GLY 154 H 0.08 0.05 0.16 -0.55 8.43 8.17 2d07A1 GLY 154 HA2 0.12 0.08 0.65 -0.51 4.01 4.35 2d07A1 GLY 154 HA3 0.12 0.00 0.36 -0.51 4.01 3.98 2d07A1 PRO 155 HA 0.08 0.01 0.41 -0.51 4.44 4.43 2d07A1 PRO 155 HB2 0.05 0.03 0.14 -0.04 2.28 2.45 2d07A1 PRO 155 HB3 0.05 0.08 0.11 -0.04 2.02 2.22 2d07A1 PRO 155 HG2 0.03 0.01 -0.07 -0.04 2.03 1.96 2d07A1 PRO 155 HG3 0.03 0.10 0.05 -0.04 2.03 2.17 2d07A1 PRO 155 HD2 0.02 0.08 0.34 -0.04 3.68 4.08 2d07A1 PRO 155 HD3 0.03 0.12 0.08 -0.04 3.65 3.83 2d07A1 GLY 156 H 0.05 0.19 0.17 -0.55 8.43 8.30 2d07A1 GLY 156 HA2 -0.01 0.07 0.37 -0.51 4.01 3.94 2d07A1 GLY 156 HA3 0.02 0.20 0.73 -0.51 4.01 4.44 2d07A1 ASN 157 H 0.06 0.21 -0.01 -0.55 8.53 8.24 2d07A1 ASN 157 HA -0.09 0.11 0.88 -0.75 4.76 4.91 2d07A1 ASN 157 HB2 0.14 0.14 -0.23 -0.04 2.88 2.89 2d07A1 ASN 157 HB3 0.22 0.03 -0.13 -0.04 2.79 2.86 2d07A1 ASN 157 HD21 0.22 -0.08 -0.11 -0.04 7.03 7.01 2d07A1 ASN 157 HD22 0.15 0.08 -0.03 -0.04 7.74 7.90 2d07A1 HIS 158 H -0.01 0.83 0.24 -0.55 8.41 8.92 2d07A1 HIS 158 HA 0.03 0.17 0.88 -0.75 4.63 4.96 2d07A1 HIS 158 HB2 -0.01 0.14 0.05 -0.04 3.26 3.39 2d07A1 HIS 158 HB3 -0.07 -0.11 0.15 -0.04 3.20 3.12 2d07A1 HIS 158 HD2 0.03 0.05 -0.17 -0.04 6.97 6.83 2d07A1 HIS 158 HE1 0.03 0.40 -0.17 -0.04 7.75 7.96 2d07A1 PHE 159 H 0.13 0.10 -0.10 -0.55 8.34 7.92 2d07A1 PHE 159 HA -0.16 0.10 0.30 -0.75 4.62 4.10 2d07A1 PHE 159 HB2 -0.61 -0.04 0.06 -0.04 3.15 2.52 2d07A1 PHE 159 HB3 -0.41 0.02 0.06 -0.04 3.06 2.69 2d07A1 PHE 159 HD2 -0.99 -0.01 -0.12 -0.04 7.28 6.12 2d07A1 PHE 159 HE2 -0.85 0.05 -0.15 -0.04 7.38 6.38 2d07A1 PHE 159 HZ -0.37 0.08 -0.14 -0.04 7.32 6.85 2d07A1 TRP 160 H 0.13 0.18 -0.11 -0.55 7.97 7.63 2d07A1 TRP 160 HA -0.38 0.09 0.33 -0.75 4.62 3.92 2d07A1 TRP 160 HB2 0.06 -0.02 0.03 -0.04 3.23 3.27 2d07A1 TRP 160 HB3 -0.01 0.29 -0.06 -0.04 3.23 3.41 2d07A1 TRP 160 HD1 0.29 0.14 0.05 -0.04 7.22 7.65 2d07A1 TRP 160 HE1 0.37 0.45 0.02 -0.04 10.20 11.00 2d07A1 TRP 160 HE3 -0.05 -0.02 -0.20 -0.04 7.59 7.29 2d07A1 TRP 160 HZ2 0.19 0.05 -0.08 -0.04 7.44 7.57 2d07A1 TRP 160 HZ3 0.11 0.04 -0.18 -0.04 7.13 7.06 2d07A1 TRP 160 HH2 0.35 0.03 -0.22 -0.04 7.19 7.31 2d07A1 LYS 161 H 0.10 0.08 -0.35 -0.55 8.42 7.69 2d07A1 LYS 161 HA 0.09 0.12 0.48 -0.75 4.32 4.25 2d07A1 LYS 161 HB2 0.02 0.02 0.12 -0.04 1.87 1.98 2d07A1 LYS 161 HB3 -0.02 -0.00 -0.01 -0.04 1.79 1.72 2d07A1 LYS 161 HG2 0.08 0.05 0.03 -0.04 1.46 1.58 2d07A1 LYS 161 HG3 0.13 -0.04 0.03 -0.04 1.46 1.53 2d07A1 LYS 161 HD2 0.12 -0.02 0.06 -0.04 1.69 1.82 2d07A1 LYS 161 HD3 0.03 -0.01 0.03 -0.04 1.68 1.68 2d07A1 LYS 161 HE2 0.11 -0.02 0.04 -0.04 2.99 3.07 2d07A1 LYS 161 HE3 0.09 0.04 0.03 -0.04 2.99 3.11 2d07A1 CYS 162 H -0.25 0.64 -0.05 -0.55 8.50 8.29 2d07A1 CYS 162 HA -0.40 -0.02 0.36 -0.75 4.58 3.77 2d07A1 CYS 162 HB2 -0.91 0.15 0.12 -0.04 2.97 2.28 2d07A1 CYS 162 HB3 -1.98 -0.03 -0.10 -0.04 2.97 0.82 2d07A1 LEU 163 H -0.51 0.53 -0.23 -0.55 8.37 7.61 2d07A1 LEU 163 HA -0.21 0.02 0.29 -0.75 4.35 3.70 2d07A1 LEU 163 HB2 -0.86 0.05 0.02 -0.04 1.64 0.81 2d07A1 LEU 163 HB3 -0.19 0.11 0.03 -0.04 1.64 1.55 2d07A1 LEU 163 HG -0.19 -0.03 -0.23 -0.04 1.64 1.15 2d07A1 LEU 163 HD13 -0.22 0.01 -0.09 -0.04 0.93 0.58 2d07A1 LEU 163 HD23 -0.22 -0.01 -0.14 -0.04 0.89 0.49 2d07A1 PHE 164 H 0.03 0.34 -0.34 -0.55 8.34 7.81 2d07A1 PHE 164 HA -0.08 0.14 0.55 -0.75 4.62 4.47 2d07A1 PHE 164 HB2 -0.03 -0.04 0.05 -0.04 3.15 3.09 2d07A1 PHE 164 HB3 -0.06 0.06 0.14 -0.04 3.06 3.16 2d07A1 PHE 164 HD2 -0.03 0.10 -0.22 -0.04 7.28 7.09 2d07A1 PHE 164 HE2 -0.01 0.15 -0.14 -0.04 7.38 7.34 2d07A1 PHE 164 HZ -0.01 0.01 -0.03 -0.04 7.32 7.24 2d07A1 MET 165 H -0.13 0.61 0.08 -0.55 8.47 8.49 2d07A1 MET 165 HA -0.43 0.09 0.40 -0.75 4.52 3.82 2d07A1 MET 165 HB2 -0.19 -0.04 -0.01 -0.04 2.15 1.87 2d07A1 MET 165 HB3 -0.17 -0.03 0.07 -0.04 2.03 1.85 2d07A1 MET 165 HG2 -0.16 0.69 0.23 -0.04 2.63 3.35 2d07A1 MET 165 HG3 -0.24 -0.09 -0.05 -0.04 2.56 2.14 2d07A1 MET 165 HE3 0.01 0.02 0.00 -0.04 2.10 2.09 2d07A1 SER 166 H -0.19 0.31 -0.58 -0.55 8.46 7.45 2d07A1 SER 166 HA -0.12 0.08 0.57 -0.75 4.49 4.26 2d07A1 SER 166 HB2 -0.03 -0.06 -0.22 -0.04 3.95 3.61 2d07A1 SER 166 HB3 -0.10 -0.05 -0.01 -0.04 3.93 3.74 2d07A1 GLY 167 H -0.17 0.34 -0.27 -0.55 8.43 7.78 2d07A1 GLY 167 HA2 -0.09 0.13 0.30 -0.51 4.01 3.84 2d07A1 GLY 167 HA3 -0.07 0.09 0.59 -0.51 4.01 4.11 2d07A1 LEU 168 H -0.06 0.21 -0.06 -0.55 8.37 7.91 2d07A1 LEU 168 HA -0.01 0.11 0.51 -0.75 4.35 4.20 2d07A1 LEU 168 HB2 -0.06 0.05 0.12 -0.04 1.64 1.71 2d07A1 LEU 168 HB3 -0.08 -0.05 -0.02 -0.04 1.64 1.45 2d07A1 LEU 168 HG -0.03 0.03 -0.14 -0.04 1.64 1.47 2d07A1 LEU 168 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.81 2d07A1 LEU 168 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.81 2d07A1 SER 169 H -0.00 0.27 -0.08 -0.55 8.46 8.11 2d07A1 SER 169 HA -0.24 0.17 0.78 -0.75 4.49 4.45 2d07A1 SER 169 HB2 -0.15 -0.06 0.02 -0.04 3.95 3.72 2d07A1 SER 169 HB3 -0.25 -0.05 -0.16 -0.04 3.93 3.43 2d07A1 GLU 170 H 0.30 0.12 0.07 -0.55 8.60 8.54 2d07A1 GLU 170 HA 0.17 0.13 0.40 -0.75 4.29 4.24 2d07A1 GLU 170 HB2 0.12 -0.01 -0.03 -0.04 2.09 2.13 2d07A1 GLU 170 HB3 0.16 0.06 0.06 -0.04 1.99 2.23 2d07A1 GLU 170 HG2 0.39 -0.01 0.11 -0.04 2.34 2.80 2d07A1 GLU 170 HG3 0.16 -0.09 0.00 -0.04 2.34 2.38 2d07A1 VAL 171 H 0.10 0.07 -0.09 -0.55 8.24 7.77 2d07A1 VAL 171 HA -0.16 0.23 0.75 -0.75 4.13 4.19 2d07A1 VAL 171 HB -0.18 -0.02 0.05 -0.04 2.12 1.93 2d07A1 VAL 171 HG13 0.00 0.00 -0.17 -0.04 0.97 0.76 2d07A1 VAL 171 HG23 -0.02 -0.01 -0.24 -0.04 0.95 0.63 2d07A1 GLN 172 H -0.75 0.14 0.07 -0.55 8.47 7.39 2d07A1 GLN 172 HA -0.54 0.07 0.54 -0.75 4.36 3.67 2d07A1 GLN 172 HB2 -0.82 0.01 0.09 -0.04 2.15 1.39 2d07A1 GLN 172 HB3 -0.38 -0.02 0.16 -0.04 2.02 1.74 2d07A1 GLN 172 HG2 -0.12 -0.03 -0.03 -0.04 2.40 2.18 2d07A1 GLN 172 HG3 -0.15 0.05 -0.26 -0.04 2.39 1.99 2d07A1 GLN 172 HE21 0.13 0.10 -0.29 -0.04 6.97 6.87 2d07A1 GLN 172 HE22 0.01 0.51 -0.00 -0.04 7.69 8.17 2d07A1 LEU 173 H -0.02 0.17 0.17 -0.55 8.37 8.14 2d07A1 LEU 173 HA -0.18 0.16 0.72 -0.75 4.35 4.30 2d07A1 LEU 173 HB2 0.19 -0.01 -0.03 -0.04 1.64 1.76 2d07A1 LEU 173 HB3 -0.20 -0.05 0.09 -0.04 1.64 1.44 2d07A1 LEU 173 HG 0.01 0.17 -0.12 -0.04 1.64 1.65 2d07A1 LEU 173 HD13 0.12 0.00 -0.07 -0.04 0.93 0.94 2d07A1 LEU 173 HD23 0.02 0.01 -0.17 -0.04 0.89 0.70 2d07A1 ASN 174 H -0.63 0.19 0.15 -0.55 8.53 7.70 2d07A1 ASN 174 HA -0.92 0.17 0.62 -0.75 4.76 3.88 2d07A1 ASN 174 HB2 -0.40 -0.07 0.15 -0.04 2.88 2.52 2d07A1 ASN 174 HB3 -0.30 0.16 -0.16 -0.04 2.79 2.44 2d07A1 ASN 174 HD21 -0.28 0.05 -0.06 -0.04 7.03 6.70 2d07A1 ASN 174 HD22 -0.26 0.10 -0.14 -0.04 7.74 7.40 2d07A1 HIS 175 H -0.51 0.18 0.10 -0.55 8.41 7.64 2d07A1 HIS 175 HA -0.26 0.14 0.28 -0.75 4.63 4.04 2d07A1 HIS 175 HB2 0.15 -0.00 -0.23 -0.04 3.26 3.14 2d07A1 HIS 175 HB3 0.20 0.12 -0.24 -0.04 3.20 3.24 2d07A1 HIS 175 HD2 -0.09 0.09 -0.26 -0.04 6.97 6.67 2d07A1 HIS 175 HE1 -0.05 0.06 0.02 -0.04 7.75 7.74 2d07A1 MET 176 H -0.96 0.04 -0.36 -0.55 8.47 6.65 2d07A1 MET 176 HA -0.99 0.16 0.37 -0.75 4.52 3.30 2d07A1 MET 176 HB2 -0.43 -0.03 -0.03 -0.04 2.15 1.61 2d07A1 MET 176 HB3 -0.34 0.06 0.05 -0.04 2.03 1.76 2d07A1 MET 176 HG2 -0.82 -0.10 -0.00 -0.04 2.63 1.66 2d07A1 MET 176 HG3 -0.33 0.04 -0.00 -0.04 2.56 2.23 2d07A1 MET 176 HE3 -0.11 0.02 0.02 -0.04 2.10 1.98 2d07A1 ASP 177 H -0.52 0.54 -0.30 -0.55 8.40 7.57 2d07A1 ASP 177 HA -0.04 0.18 0.72 -0.75 4.63 4.74 2d07A1 ASP 177 HB2 -0.30 0.07 0.04 -0.04 2.71 2.49 2d07A1 ASP 177 HB3 0.02 -0.01 0.12 -0.04 2.70 2.79 2d07A1 ASP 178 H 0.08 0.49 -0.24 -0.55 8.40 8.18 2d07A1 ASP 178 HA 0.63 0.02 0.30 -0.75 4.63 4.82 2d07A1 ASP 178 HB2 -0.05 -0.01 0.08 -0.04 2.71 2.69 2d07A1 ASP 178 HB3 0.46 0.02 0.16 -0.04 2.70 3.30 2d07A1 HIS 179 H 0.34 0.18 -0.27 -0.55 8.41 8.12 2d07A1 HIS 179 HA 0.16 0.14 0.53 -0.75 4.63 4.71 2d07A1 HIS 179 HB2 0.11 0.02 0.06 -0.04 3.26 3.42 2d07A1 HIS 179 HB3 0.09 0.01 0.09 -0.04 3.20 3.34 2d07A1 HIS 179 HD2 0.06 -0.01 0.05 -0.04 6.97 7.02 2d07A1 HIS 179 HE1 -0.07 0.21 0.08 -0.04 7.75 7.92 2d07A1 THR 180 H 0.22 0.44 -0.26 -0.55 8.28 8.14 2d07A1 THR 180 HA 0.13 0.14 0.71 -0.75 4.39 4.61 2d07A1 THR 180 HB 0.10 -0.05 0.12 -0.04 4.32 4.46 2d07A1 THR 180 HG23 0.10 -0.01 0.01 -0.04 1.22 1.27 2d07A1 LEU 181 H 0.29 0.32 -0.24 -0.55 8.37 8.20 2d07A1 LEU 181 HA 0.44 -0.04 0.39 -0.75 4.35 4.39 2d07A1 LEU 181 HB2 0.43 0.22 0.15 -0.04 1.64 2.40 2d07A1 LEU 181 HB3 0.21 0.18 -0.03 -0.04 1.64 1.96 2d07A1 LEU 181 HG 0.30 -0.02 -0.02 -0.04 1.64 1.85 2d07A1 LEU 181 HD13 0.52 -0.01 -0.14 -0.04 0.93 1.25 2d07A1 LEU 181 HD23 0.43 -0.02 -0.12 -0.04 0.89 1.14 2d07A1 PRO 182 HA 0.04 -0.01 0.37 -0.51 4.44 4.34 2d07A1 PRO 182 HB2 0.06 -0.01 -0.00 -0.04 2.28 2.28 2d07A1 PRO 182 HB3 0.02 0.01 -0.08 -0.04 2.02 1.93 2d07A1 PRO 182 HG2 0.05 -0.01 -0.03 -0.04 2.03 2.00 2d07A1 PRO 182 HG3 0.03 0.17 0.04 -0.04 2.03 2.23 2d07A1 PRO 182 HD2 0.13 0.20 -0.18 -0.04 3.68 3.79 2d07A1 PRO 182 HD3 0.18 0.18 0.14 -0.04 3.65 4.11 2d07A1 GLY 183 H 0.07 0.17 -0.21 -0.55 8.43 7.92 2d07A1 GLY 183 HA2 0.02 0.09 0.40 -0.51 4.01 4.01 2d07A1 GLY 183 HA3 0.03 0.00 0.29 -0.51 4.01 3.82 2d07A1 LYS 184 H 0.01 0.54 0.05 -0.55 8.42 8.46 2d07A1 LYS 184 HA -0.17 0.11 0.58 -0.75 4.32 4.08 2d07A1 LYS 184 HB2 -0.25 0.03 0.07 -0.04 1.87 1.68 2d07A1 LYS 184 HB3 -0.67 -0.05 0.02 -0.04 1.79 1.06 2d07A1 LYS 184 HG2 -0.11 -0.01 0.01 -0.04 1.46 1.32 2d07A1 LYS 184 HG3 -0.03 0.04 0.10 -0.04 1.46 1.53 2d07A1 LYS 184 HD2 0.04 -0.03 -0.02 -0.04 1.69 1.64 2d07A1 LYS 184 HD3 -0.10 -0.02 -0.00 -0.04 1.68 1.51 2d07A1 LYS 184 HE2 -0.02 0.00 0.00 -0.04 2.99 2.93 2d07A1 LYS 184 HE3 0.02 -0.00 0.02 -0.04 2.99 2.99 2d07A1 TYR 185 H 0.09 0.41 0.03 -0.55 8.29 8.26 2d07A1 TYR 185 HA 0.03 0.25 1.03 -0.75 4.56 5.11 2d07A1 TYR 185 HB2 0.06 -0.04 0.09 -0.04 3.06 3.14 2d07A1 TYR 185 HB3 0.03 0.02 0.13 -0.04 2.98 3.12 2d07A1 TYR 185 HD2 0.09 0.06 0.02 -0.04 7.15 7.27 2d07A1 TYR 185 HE2 0.08 -0.07 -0.01 -0.04 6.85 6.81 2d07A1 GLY 186 H 0.06 0.37 -0.02 -0.55 8.43 8.30 2d07A1 GLY 186 HA2 0.02 0.19 0.45 -0.51 4.01 4.16 2d07A1 GLY 186 HA3 0.03 0.01 0.54 -0.51 4.01 4.08 2d07A1 ILE 187 H 0.07 0.30 -0.33 -0.55 8.25 7.75 2d07A1 ILE 187 HA -0.12 0.27 1.02 -0.75 4.18 4.59 2d07A1 ILE 187 HB 0.01 -0.08 -0.09 -0.04 1.89 1.69 2d07A1 ILE 187 HG12 -0.08 -0.02 -0.14 -0.04 1.49 1.21 2d07A1 ILE 187 HG13 0.04 0.22 -0.41 -0.04 1.21 1.02 2d07A1 ILE 187 HG23 -0.38 -0.03 -0.20 -0.04 0.93 0.28 2d07A1 ILE 187 HD13 -0.04 -0.02 -0.10 -0.04 0.88 0.67 2d07A1 GLY 188 H -0.28 0.54 0.37 -0.55 8.43 8.50 2d07A1 GLY 188 HA2 -0.14 0.18 0.96 -0.51 4.01 4.50 2d07A1 GLY 188 HA3 -0.19 0.06 0.44 -0.51 4.01 3.82 2d07A1 PHE 189 H -0.04 0.62 0.39 -0.55 8.34 8.76 2d07A1 PHE 189 HA -0.22 0.23 1.11 -0.75 4.62 4.98 2d07A1 PHE 189 HB2 -0.87 -0.03 0.06 -0.04 3.15 2.27 2d07A1 PHE 189 HB3 -0.53 0.00 0.03 -0.04 3.06 2.52 2d07A1 PHE 189 HD2 -0.21 0.03 -0.04 -0.04 7.28 7.02 2d07A1 PHE 189 HE2 -0.40 0.02 -0.08 -0.04 7.38 6.88 2d07A1 PHE 189 HZ -0.00 -0.03 -0.13 -0.04 7.32 7.12 2d07A1 THR 190 H -0.02 0.71 0.37 -0.55 8.28 8.79 2d07A1 THR 190 HA 0.01 0.08 0.50 -0.75 4.39 4.22 2d07A1 THR 190 HB -0.08 0.07 -0.23 -0.04 4.32 4.04 2d07A1 THR 190 HG23 -0.09 0.00 -0.31 -0.04 1.22 0.78 2d07A1 ASN 191 H 0.02 0.28 0.10 -0.55 8.53 8.38 2d07A1 ASN 191 HA 0.02 0.09 0.79 -0.75 4.76 4.91 2d07A1 ASN 191 HB2 0.02 0.08 -0.24 -0.04 2.88 2.70 2d07A1 ASN 191 HB3 0.03 0.05 -0.38 -0.04 2.79 2.46 2d07A1 ASN 191 HD21 0.05 -0.04 -0.26 -0.04 7.03 6.73 2d07A1 ASN 191 HD22 0.04 0.10 -0.27 -0.04 7.74 7.58 2d07A1 MET 192 H 0.09 0.55 0.30 -0.55 8.47 8.86 2d07A1 MET 192 HA 0.12 0.04 0.41 -0.75 4.52 4.34 2d07A1 MET 192 HB2 0.19 -0.05 0.13 -0.04 2.15 2.38 2d07A1 MET 192 HB3 0.20 0.11 0.31 -0.04 2.03 2.61 2d07A1 MET 192 HG2 0.47 -0.07 -0.02 -0.04 2.63 2.97 2d07A1 MET 192 HG3 0.22 -0.01 -0.19 -0.04 2.56 2.53 2d07A1 MET 192 HE3 0.23 -0.01 -0.03 -0.04 2.10 2.24 2d07A1 VAL 193 H 0.05 0.76 0.20 -0.55 8.24 8.70 2d07A1 VAL 193 HA -0.01 0.11 0.92 -0.75 4.13 4.39 2d07A1 VAL 193 HB -0.04 0.03 0.12 -0.04 2.12 2.19 2d07A1 VAL 193 HG13 -0.09 -0.01 -0.06 -0.04 0.97 0.76 2d07A1 VAL 193 HG23 -0.18 -0.00 -0.14 -0.04 0.95 0.59 2d07A1 GLU 194 H -0.01 0.13 0.09 -0.55 8.60 8.26 2d07A1 GLU 194 HA -0.01 0.11 0.39 -0.75 4.29 4.02 2d07A1 GLU 194 HB2 -0.01 -0.06 0.09 -0.04 2.09 2.07 2d07A1 GLU 194 HB3 -0.01 0.01 -0.05 -0.04 1.99 1.89 2d07A1 GLU 194 HG2 0.01 0.01 -0.02 -0.04 2.34 2.29 2d07A1 GLU 194 HG3 0.01 0.06 -0.02 -0.04 2.34 2.35 2d07A1 ARG 195 H -0.03 0.01 -0.05 -0.55 8.46 7.84 2d07A1 ARG 195 HA -0.04 0.14 0.65 -0.75 4.34 4.35 2d07A1 ARG 195 HB2 -0.03 -0.05 0.03 -0.04 1.90 1.80 2d07A1 ARG 195 HB3 -0.03 0.03 -0.17 -0.04 1.80 1.59 2d07A1 ARG 195 HG2 -0.03 0.05 -0.13 -0.04 1.67 1.52 2d07A1 ARG 195 HG3 -0.03 -0.05 -0.08 -0.04 1.67 1.47 2d07A1 ARG 195 HD2 -0.02 0.02 -0.07 -0.04 3.22 3.11 2d07A1 ARG 195 HD3 -0.02 -0.03 -0.05 -0.04 3.22 3.08 2d07A1 THR 196 H -0.03 0.42 0.21 -0.55 8.28 8.33 2d07A1 THR 196 HA -0.02 0.15 0.87 -0.75 4.39 4.64 2d07A1 THR 196 HB -0.02 0.16 0.25 -0.04 4.32 4.68 2d07A1 THR 196 HG23 0.02 -0.02 -0.37 -0.04 1.22 0.81 2d07A1 THR 197 H -0.01 0.24 0.09 -0.55 8.28 8.05 2d07A1 THR 197 HA 0.02 0.18 0.94 -0.75 4.39 4.78 2d07A1 THR 197 HB -0.01 0.00 0.06 -0.04 4.32 4.34 2d07A1 THR 197 HG23 -0.00 0.04 -0.04 -0.04 1.22 1.18 2d07A1 PRO 198 HA 0.00 -0.04 0.38 -0.51 4.44 4.28 2d07A1 PRO 198 HB2 -0.00 0.02 0.01 -0.04 2.28 2.26 2d07A1 PRO 198 HB3 -0.02 0.02 0.06 -0.04 2.02 2.04 2d07A1 PRO 198 HG2 0.01 0.03 0.01 -0.04 2.03 2.04 2d07A1 PRO 198 HG3 0.02 0.09 0.02 -0.04 2.03 2.12 2d07A1 PRO 198 HD2 0.02 0.06 0.13 -0.04 3.68 3.84 2d07A1 PRO 198 HD3 0.05 0.24 0.11 -0.04 3.65 4.01 2d07A1 GLY 199 H -0.01 0.09 0.10 -0.55 8.43 8.06 2d07A1 GLY 199 HA2 0.00 0.01 0.23 -0.51 4.01 3.75 2d07A1 GLY 199 HA3 -0.00 0.09 0.21 -0.51 4.01 3.80 2d07A1 LEU 203 HA -0.14 -0.02 0.15 -0.75 4.35 3.59 2d07A1 SER 204 H -0.13 0.19 0.11 -0.55 8.46 8.08 2d07A1 SER 204 HA 0.01 0.09 0.43 -0.75 4.49 4.27 2d07A1 SER 204 HB2 -0.04 0.13 0.15 -0.04 3.95 4.15 2d07A1 SER 204 HB3 -0.09 -0.04 0.13 -0.04 3.93 3.88 2d07A1 SER 205 H 0.05 0.15 0.22 -0.55 8.46 8.33 2d07A1 SER 205 HA 0.25 0.19 0.53 -0.75 4.49 4.71 2d07A1 SER 205 HB2 0.07 0.07 0.14 -0.04 3.95 4.19 2d07A1 SER 205 HB3 0.05 -0.05 0.15 -0.04 3.93 4.04 2d07A1 LYS 206 H 0.02 0.08 0.03 -0.55 8.42 8.00 2d07A1 LYS 206 HA 0.02 0.14 0.44 -0.75 4.32 4.16 2d07A1 GLU 207 H -0.06 0.04 -0.32 -0.55 8.60 7.71 2d07A1 GLU 207 HA -0.07 0.06 0.34 -0.75 4.29 3.87 2d07A1 GLU 207 HB2 -0.32 0.17 0.00 -0.04 2.09 1.90 2d07A1 GLU 207 HB3 -0.24 0.06 -0.03 -0.04 1.99 1.73 2d07A1 GLU 207 HG2 -0.09 0.03 0.03 -0.04 2.34 2.27 2d07A1 GLU 207 HG3 -0.09 -0.13 0.05 -0.04 2.34 2.13 2d07A1 PHE 208 H -0.04 0.34 -0.39 -0.55 8.34 7.69 2d07A1 PHE 208 HA 0.01 0.04 0.38 -0.75 4.62 4.30 2d07A1 PHE 208 HB2 -0.01 0.13 0.13 -0.04 3.15 3.36 2d07A1 PHE 208 HB3 -0.01 -0.01 -0.02 -0.04 3.06 2.98 2d07A1 PHE 208 HD2 0.02 0.01 -0.04 -0.04 7.28 7.23 2d07A1 PHE 208 HE2 0.03 0.02 -0.06 -0.04 7.38 7.33 2d07A1 PHE 208 HZ 0.03 -0.04 -0.04 -0.04 7.32 7.22 2d07A1 ARG 209 H 0.09 0.32 -0.30 -0.55 8.46 8.02 2d07A1 ARG 209 HA 0.02 0.08 0.48 -0.75 4.34 4.17 2d07A1 GLU 210 H 0.01 0.78 0.14 -0.55 8.60 8.99 2d07A1 GLU 210 HA -0.00 0.03 0.45 -0.75 4.29 4.01 2d07A1 GLY 211 H 0.02 0.50 -0.37 -0.55 8.43 8.04 2d07A1 GLY 211 HA2 0.02 -0.02 0.51 -0.51 4.01 4.01 2d07A1 GLY 211 HA3 0.05 0.10 0.34 -0.51 4.01 3.99 2d07A1 GLY 212 H 0.06 0.60 -0.14 -0.55 8.43 8.41 2d07A1 GLY 212 HA2 0.10 -0.03 0.42 -0.51 4.01 3.98 2d07A1 GLY 212 HA3 -0.04 0.11 0.32 -0.51 4.01 3.89 2d07A1 ARG 213 H -0.01 0.41 -0.22 -0.55 8.46 8.08 2d07A1 ARG 213 HA -0.04 0.04 0.37 -0.75 4.34 3.96 2d07A1 ARG 213 HB2 -0.01 0.08 0.11 -0.04 1.90 2.04 2d07A1 ARG 213 HB3 -0.02 -0.04 0.03 -0.04 1.80 1.73 2d07A1 ARG 213 HG2 -0.02 0.35 0.14 -0.04 1.67 2.10 2d07A1 ARG 213 HG3 -0.02 -0.08 0.02 -0.04 1.67 1.54 2d07A1 ARG 213 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.11 2d07A1 ARG 213 HD3 -0.05 -0.02 0.02 -0.04 3.22 3.13 2d07A1 ILE 214 H 0.02 0.48 -0.14 -0.55 8.25 8.06 2d07A1 ILE 214 HA 0.02 0.01 0.46 -0.75 4.18 3.92 2d07A1 ILE 214 HB 0.03 0.16 0.21 -0.04 1.89 2.25 2d07A1 ILE 214 HG12 0.01 -0.06 0.04 -0.04 1.49 1.45 2d07A1 ILE 214 HG13 0.01 0.21 0.15 -0.04 1.21 1.54 2d07A1 ILE 214 HG23 0.03 -0.03 -0.06 -0.04 0.93 0.83 2d07A1 ILE 214 HD13 0.01 -0.03 0.01 -0.04 0.88 0.82 2d07A1 LEU 215 H 0.07 0.67 -0.08 -0.55 8.37 8.48 2d07A1 LEU 215 HA 0.08 -0.01 0.40 -0.75 4.35 4.06 2d07A1 LEU 215 HB2 0.13 0.12 0.11 -0.04 1.64 1.96 2d07A1 LEU 215 HB3 0.21 0.08 0.20 -0.04 1.64 2.09 2d07A1 LEU 215 HG 0.23 -0.01 -0.28 -0.04 1.64 1.54 2d07A1 LEU 215 HD13 0.01 -0.00 -0.14 -0.04 0.93 0.76 2d07A1 LEU 215 HD23 0.23 -0.02 -0.14 -0.04 0.89 0.91 2d07A1 VAL 216 H 0.11 0.77 0.01 -0.55 8.24 8.58 2d07A1 VAL 216 HA 0.21 -0.03 0.34 -0.75 4.13 3.90 2d07A1 VAL 216 HB -0.00 0.10 0.11 -0.04 2.12 2.28 2d07A1 VAL 216 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.88 2d07A1 VAL 216 HG23 -0.09 0.06 0.05 -0.04 0.95 0.93 2d07A1 GLN 217 H 0.04 0.45 -0.43 -0.55 8.47 7.99 2d07A1 GLN 217 HA 0.02 0.02 0.39 -0.75 4.36 4.04 2d07A1 GLN 217 HB2 0.03 0.15 0.20 -0.04 2.15 2.48 2d07A1 GLN 217 HB3 0.01 -0.08 0.00 -0.04 2.02 1.91 2d07A1 GLN 217 HG2 0.01 -0.06 0.02 -0.04 2.40 2.32 2d07A1 GLN 217 HG3 0.01 0.23 0.10 -0.04 2.39 2.68 2d07A1 GLN 217 HE21 0.00 -0.09 -0.11 -0.04 6.97 6.73 2d07A1 GLN 217 HE22 -0.00 0.06 -0.17 -0.04 7.69 7.53 2d07A1 LYS 218 H 0.06 0.54 -0.10 -0.55 8.42 8.37 2d07A1 LYS 218 HA 0.06 0.01 0.47 -0.75 4.32 4.11 2d07A1 LYS 218 HB2 0.07 0.14 0.16 -0.04 1.87 2.21 2d07A1 LYS 218 HB3 0.16 -0.09 -0.01 -0.04 1.79 1.80 2d07A1 LYS 218 HG2 0.12 -0.06 0.02 -0.04 1.46 1.50 2d07A1 LYS 218 HG3 0.06 0.23 0.07 -0.04 1.46 1.78 2d07A1 LYS 218 HD2 0.04 0.03 -0.02 -0.04 1.69 1.70 2d07A1 LYS 218 HD3 0.05 -0.06 -0.01 -0.04 1.68 1.62 2d07A1 LYS 218 HE2 0.06 -0.03 -0.01 -0.04 2.99 2.97 2d07A1 LYS 218 HE3 0.04 0.02 -0.04 -0.04 2.99 2.96 2d07A1 LEU 219 H 0.07 0.58 -0.12 -0.55 8.37 8.36 2d07A1 LEU 219 HA 0.05 -0.02 0.40 -0.75 4.35 4.03 2d07A1 LEU 219 HB2 0.10 0.13 0.11 -0.04 1.64 1.95 2d07A1 LEU 219 HB3 0.07 -0.02 -0.05 -0.04 1.64 1.59 2d07A1 LEU 219 HG 0.04 0.12 -0.07 -0.04 1.64 1.68 2d07A1 LEU 219 HD13 0.01 -0.02 -0.14 -0.04 0.93 0.74 2d07A1 LEU 219 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.65 2d07A1 GLN 220 H 0.05 0.72 -0.08 -0.55 8.47 8.61 2d07A1 GLN 220 HA 0.05 0.05 0.35 -0.75 4.36 4.05 2d07A1 GLN 220 HB2 0.03 0.03 0.11 -0.04 2.15 2.28 2d07A1 GLN 220 HB3 0.03 -0.06 0.02 -0.04 2.02 1.98 2d07A1 GLN 220 HG2 0.06 0.15 -0.02 -0.04 2.40 2.55 2d07A1 GLN 220 HG3 0.07 -0.04 -0.01 -0.04 2.39 2.37 2d07A1 GLN 220 HE21 0.02 -0.13 -0.10 -0.04 6.97 6.73 2d07A1 GLN 220 HE22 0.05 0.35 -0.11 -0.04 7.69 7.94 2d07A1 LYS 221 H -0.03 0.19 -0.70 -0.55 8.42 7.32 2d07A1 LYS 221 HA -0.05 0.07 0.62 -0.75 4.32 4.21 2d07A1 LYS 221 HB2 -0.13 0.00 0.08 -0.04 1.87 1.78 2d07A1 LYS 221 HB3 -0.32 0.07 0.22 -0.04 1.79 1.72 2d07A1 LYS 221 HG2 -1.02 0.01 -0.35 -0.04 1.46 0.05 2d07A1 LYS 221 HG3 -0.13 -0.04 -0.03 -0.04 1.46 1.22 2d07A1 LYS 221 HD2 -0.16 -0.02 -0.02 -0.04 1.69 1.44 2d07A1 LYS 221 HD3 -0.55 -0.01 -0.03 -0.04 1.68 1.05 2d07A1 LYS 221 HE2 -0.44 -0.01 -0.08 -0.04 2.99 2.42 2d07A1 LYS 221 HE3 0.04 -0.01 -0.05 -0.04 2.99 2.93 2d07A1 TYR 222 H -0.14 0.63 0.12 -0.55 8.29 8.34 2d07A1 TYR 222 HA -0.86 0.03 0.50 -0.75 4.56 3.47 2d07A1 TYR 222 HB2 -0.21 0.03 0.00 -0.04 3.06 2.83 2d07A1 TYR 222 HB3 -0.33 0.06 -0.06 -0.04 2.98 2.62 2d07A1 TYR 222 HD2 -0.64 0.06 -0.25 -0.04 7.15 6.28 2d07A1 TYR 222 HE2 -0.13 -0.04 -0.10 -0.04 6.85 6.54 2d07A1 GLN 223 H 0.02 0.54 -0.16 -0.55 8.47 8.33 2d07A1 GLN 223 HA 0.04 0.06 0.34 -0.75 4.36 4.05 2d07A1 GLN 223 HB2 0.09 -0.00 -0.18 -0.04 2.15 2.01 2d07A1 GLN 223 HB3 0.06 -0.12 0.08 -0.04 2.02 2.00 2d07A1 GLN 223 HG2 0.05 -0.01 0.02 -0.04 2.40 2.42 2d07A1 GLN 223 HG3 0.05 0.12 -0.42 -0.04 2.39 2.10 2d07A1 GLN 223 HE21 0.06 -0.14 0.08 -0.04 6.97 6.92 2d07A1 GLN 223 HE22 0.06 0.30 0.10 -0.04 7.69 8.11 2d07A1 PRO 224 HA 0.01 0.21 0.45 -0.51 4.44 4.60 2d07A1 PRO 224 HB2 -0.05 0.00 -0.34 -0.04 2.28 1.85 2d07A1 PRO 224 HB3 -0.06 -0.03 -0.18 -0.04 2.02 1.71 2d07A1 PRO 224 HG2 -0.03 -0.01 -0.31 -0.04 2.03 1.64 2d07A1 PRO 224 HG3 -0.07 -0.04 -0.17 -0.04 2.03 1.71 2d07A1 PRO 224 HD2 0.02 0.09 0.08 -0.04 3.68 3.82 2d07A1 PRO 224 HD3 0.01 0.05 -0.17 -0.04 3.65 3.50 2d07A1 ARG 225 H -0.01 0.54 0.25 -0.55 8.46 8.69 2d07A1 ARG 225 HA 0.02 0.04 0.45 -0.75 4.34 4.10 2d07A1 ARG 225 HB2 -0.02 0.14 0.34 -0.04 1.90 2.32 2d07A1 ARG 225 HB3 -0.01 -0.07 0.07 -0.04 1.80 1.75 2d07A1 ARG 225 HG2 0.01 -0.03 0.04 -0.04 1.67 1.66 2d07A1 ARG 225 HG3 0.01 0.07 0.04 -0.04 1.67 1.75 2d07A1 ARG 225 HD2 -0.00 -0.03 0.04 -0.04 3.22 3.18 2d07A1 ARG 225 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.15 2d07A1 ILE 226 H -0.04 0.34 -0.07 -0.55 8.25 7.93 2d07A1 ILE 226 HA 0.01 0.16 1.02 -0.75 4.18 4.62 2d07A1 ILE 226 HB -0.09 -0.05 0.08 -0.04 1.89 1.80 2d07A1 ILE 226 HG12 -0.03 0.02 -0.18 -0.04 1.49 1.26 2d07A1 ILE 226 HG13 -0.04 -0.03 -0.45 -0.04 1.21 0.65 2d07A1 ILE 226 HG23 -0.03 -0.04 -0.30 -0.04 0.93 0.52 2d07A1 ILE 226 HD13 -0.11 -0.02 -0.14 -0.04 0.88 0.57 2d07A1 ALA 227 H 0.04 0.99 0.23 -0.55 8.40 9.12 2d07A1 ALA 227 HA -0.17 0.10 0.78 -0.75 4.34 4.30 2d07A1 ALA 227 HB3 -0.08 -0.00 0.04 -0.04 1.41 1.32 2d07A1 VAL 228 H -0.21 0.63 0.26 -0.55 8.24 8.37 2d07A1 VAL 228 HA 0.08 0.28 0.96 -0.75 4.13 4.70 2d07A1 VAL 228 HB -0.17 -0.02 0.08 -0.04 2.12 1.97 2d07A1 VAL 228 HG13 -0.04 -0.03 -0.27 -0.04 0.97 0.58 2d07A1 VAL 228 HG23 -0.12 0.01 -0.18 -0.04 0.95 0.62 2d07A1 PHE 229 H 0.27 0.84 0.38 -0.55 8.34 9.28 2d07A1 PHE 229 HA -0.03 0.13 0.77 -0.75 4.62 4.73 2d07A1 PHE 229 HB2 -0.06 -0.02 0.14 -0.04 3.15 3.17 2d07A1 PHE 229 HB3 0.05 -0.04 -0.07 -0.04 3.06 2.96 2d07A1 PHE 229 HD2 -0.03 0.05 -0.18 -0.04 7.28 7.08 2d07A1 PHE 229 HE2 -0.43 0.04 -0.11 -0.04 7.38 6.84 2d07A1 PHE 229 HZ -1.00 0.04 -0.15 -0.04 7.32 6.17 2d07A1 ASN 230 H 0.01 0.74 0.31 -0.55 8.53 9.05 2d07A1 ASN 230 HA -0.01 0.12 0.54 -0.75 4.76 4.66 2d07A1 ASN 230 HB2 -0.04 0.07 0.04 -0.04 2.88 2.91 2d07A1 ASN 230 HB3 0.07 -0.04 0.28 -0.04 2.79 3.05 2d07A1 ASN 230 HD21 -0.29 -0.13 0.03 -0.04 7.03 6.61 2d07A1 ASN 230 HD22 -0.06 0.09 -0.03 -0.04 7.74 7.69 2d07A1 GLY 231 H 0.07 0.72 0.12 -0.55 8.43 8.79 2d07A1 GLY 231 HA2 0.12 -0.14 0.41 -0.51 4.01 3.88 2d07A1 GLY 231 HA3 0.11 0.08 0.89 -0.51 4.01 4.58 2d07A1 LYS 232 H 0.17 0.10 0.13 -0.55 8.42 8.26 2d07A1 LYS 232 HA 0.04 0.16 0.36 -0.75 4.32 4.12 2d07A1 CYS 233 H 0.08 0.04 -0.09 -0.55 8.50 7.98 2d07A1 CYS 233 HA 0.01 0.11 0.32 -0.75 4.58 4.26 2d07A1 CYS 233 HB2 0.05 0.00 0.11 -0.04 2.97 3.09 2d07A1 CYS 233 HB3 0.07 -0.05 0.07 -0.04 2.97 3.01 2d07A1 ILE 234 H 0.11 0.12 -0.29 -0.55 8.25 7.64 2d07A1 ILE 234 HA 0.09 0.05 0.33 -0.75 4.18 3.90 2d07A1 ILE 234 HB 0.15 -0.10 -0.03 -0.04 1.89 1.87 2d07A1 ILE 234 HG12 0.18 0.07 -0.33 -0.04 1.49 1.38 2d07A1 ILE 234 HG13 0.41 0.03 -0.39 -0.04 1.21 1.21 2d07A1 ILE 234 HG23 0.24 0.01 -0.23 -0.04 0.93 0.91 2d07A1 ILE 234 HD13 0.19 -0.02 -0.09 -0.04 0.88 0.92 2d07A1 TYR 235 H 0.20 0.30 -0.37 -0.55 8.29 7.88 2d07A1 TYR 235 HA -0.25 0.07 0.39 -0.75 4.56 4.01 2d07A1 TYR 235 HB2 -0.24 -0.00 0.00 -0.04 3.06 2.79 2d07A1 TYR 235 HB3 -0.14 0.07 0.03 -0.04 2.98 2.90 2d07A1 TYR 235 HD2 -1.21 -0.01 -0.16 -0.04 7.15 5.73 2d07A1 TYR 235 HE2 -0.16 0.02 -0.13 -0.04 6.85 6.55 2d07A1 GLU 236 H 0.03 0.65 -0.06 -0.55 8.60 8.67 2d07A1 GLU 236 HA -0.13 0.04 0.35 -0.75 4.29 3.79 2d07A1 GLU 236 HB2 -0.04 0.03 0.11 -0.04 2.09 2.16 2d07A1 GLU 236 HB3 -0.06 0.02 -0.04 -0.04 1.99 1.86 2d07A1 GLU 236 HG2 -0.02 0.08 -0.01 -0.04 2.34 2.34 2d07A1 GLU 236 HG3 0.02 0.01 -0.04 -0.04 2.34 2.28 2d07A1 ILE 237 H -0.08 0.47 -0.23 -0.55 8.25 7.86 2d07A1 ILE 237 HA -0.17 0.05 0.42 -0.75 4.18 3.73 2d07A1 ILE 237 HB -0.09 0.08 0.13 -0.04 1.89 1.97 2d07A1 ILE 237 HG12 -0.39 -0.03 -0.00 -0.04 1.49 1.03 2d07A1 ILE 237 HG13 -0.20 0.22 0.06 -0.04 1.21 1.25 2d07A1 ILE 237 HG23 -0.29 -0.01 -0.10 -0.04 0.93 0.49 2d07A1 ILE 237 HD13 -0.79 -0.04 -0.07 -0.04 0.88 -0.06 2d07A1 PHE 238 H 0.06 0.53 -0.07 -0.55 8.34 8.31 2d07A1 PHE 238 HA -0.12 0.01 0.37 -0.75 4.62 4.12 2d07A1 PHE 238 HB2 0.08 0.03 0.10 -0.04 3.15 3.32 2d07A1 PHE 238 HB3 -0.29 0.05 0.13 -0.04 3.06 2.90 2d07A1 PHE 238 HD2 -0.17 0.01 -0.20 -0.04 7.28 6.88 2d07A1 PHE 238 HE2 -0.13 0.01 -0.12 -0.04 7.38 7.10 2d07A1 PHE 238 HZ -0.00 0.04 -0.07 -0.04 7.32 7.24 2d07A1 SER 239 H -0.35 0.77 -0.22 -0.55 8.46 8.12 2d07A1 SER 239 HA -0.26 -0.03 0.37 -0.75 4.49 3.82 2d07A1 SER 239 HB2 -0.93 0.02 -0.00 -0.04 3.95 3.00 2d07A1 SER 239 HB3 -0.30 0.10 0.01 -0.04 3.93 3.70 2d07A1 LYS 240 H -0.19 0.39 -0.24 -0.55 8.42 7.83 2d07A1 LYS 240 HA -0.10 0.29 0.18 -0.75 4.32 3.94 2d07A1 GLU 241 H -0.24 0.42 -0.16 -0.55 8.60 8.08 2d07A1 GLU 241 HA -0.15 0.07 0.52 -0.75 4.29 3.98 2d07A1 VAL 242 H -0.58 0.49 -0.08 -0.55 8.24 7.52 2d07A1 VAL 242 HA -0.39 0.15 0.81 -0.75 4.13 3.95 2d07A1 VAL 242 HB -1.43 0.02 0.09 -0.04 2.12 0.76 2d07A1 VAL 242 HG13 -0.53 -0.01 -0.05 -0.04 0.97 0.33 2d07A1 VAL 242 HG23 -1.32 0.00 -0.01 -0.04 0.95 -0.42 2d07A1 PHE 243 H -0.48 0.37 0.11 -0.55 8.34 7.79 2d07A1 PHE 243 HA -0.15 0.15 0.76 -0.75 4.62 4.62 2d07A1 PHE 243 HB2 -0.30 0.19 0.14 -0.04 3.15 3.14 2d07A1 PHE 243 HB3 -0.34 -0.09 0.15 -0.04 3.06 2.74 2d07A1 PHE 243 HD2 -0.25 -0.00 -0.01 -0.04 7.28 6.98 2d07A1 PHE 243 HE2 0.10 0.05 -0.07 -0.04 7.38 7.42 2d07A1 PHE 243 HZ 0.25 0.04 -0.31 -0.04 7.32 7.26 2d07A1 GLY 244 H -0.12 0.15 -0.39 -0.55 8.43 7.52 2d07A1 GLY 244 HA2 -0.06 0.28 0.40 -0.51 4.01 4.12 2d07A1 GLY 244 HA3 -0.03 0.01 0.47 -0.51 4.01 3.96 2d07A1 VAL 245 H 0.02 0.22 -0.92 -0.55 8.24 7.01 2d07A1 VAL 245 HA -0.00 -0.00 0.32 -0.75 4.13 3.69 2d07A1 VAL 245 HB 0.02 0.11 0.05 -0.04 2.12 2.26 2d07A1 VAL 245 HG13 0.01 0.01 -0.17 -0.04 0.97 0.78 2d07A1 VAL 245 HG23 0.03 -0.29 -0.01 -0.04 0.95 0.64 2d07A1 LYS 246 H -0.01 0.08 0.11 -0.55 8.42 8.05 2d07A1 LYS 246 HA -0.04 0.22 0.67 -0.75 4.32 4.42 2d07A1 VAL 247 H 0.00 -0.02 -0.29 -0.55 8.24 7.38 2d07A1 VAL 247 HA 0.03 -0.01 0.26 -0.75 4.13 3.66 2d07A1 VAL 247 HB -0.01 0.15 -0.14 -0.04 2.12 2.09 2d07A1 VAL 247 HG13 0.05 -0.03 -0.27 -0.04 0.97 0.68 2d07A1 VAL 247 HG23 0.01 0.02 -0.24 -0.04 0.95 0.70 2d07A1 LYS 248 H 0.01 0.16 0.01 -0.55 8.42 8.04 2d07A1 LYS 248 HA -0.01 0.15 0.79 -0.75 4.32 4.49 2d07A1 ASN 249 H -0.01 0.14 0.10 -0.55 8.53 8.21 2d07A1 ASN 249 HA -0.02 -0.00 0.33 -0.75 4.76 4.31 2d07A1 LEU 250 H -0.05 0.03 -0.08 -0.55 8.37 7.73 2d07A1 LEU 250 HA -0.05 0.11 0.35 -0.75 4.35 4.01 2d07A1 LEU 250 HB2 -0.02 0.03 -0.08 -0.04 1.64 1.53 2d07A1 LEU 250 HB3 -0.12 -0.09 -0.02 -0.04 1.64 1.37 2d07A1 LEU 250 HG 0.01 0.05 -0.09 -0.04 1.64 1.57 2d07A1 LEU 250 HD13 0.10 -0.02 -0.12 -0.04 0.93 0.84 2d07A1 LEU 250 HD23 -0.32 0.02 -0.39 -0.04 0.89 0.16 2d07A1 GLU 251 H -0.11 0.21 0.14 -0.55 8.60 8.29 2d07A1 GLU 251 HA -0.14 0.10 0.90 -0.75 4.29 4.39 2d07A1 GLU 251 HB2 -0.05 0.04 0.04 -0.04 2.09 2.08 2d07A1 GLU 251 HB3 -0.00 0.05 0.05 -0.04 1.99 2.04 2d07A1 GLU 251 HG2 -0.02 -0.02 -0.14 -0.04 2.34 2.12 2d07A1 GLU 251 HG3 -0.04 0.12 -0.08 -0.04 2.34 2.30 2d07A1 PHE 252 H -0.01 0.06 0.11 -0.55 8.34 7.95 2d07A1 PHE 252 HA -0.25 0.04 0.44 -0.75 4.62 4.10 2d07A1 PHE 252 HB2 -0.01 -0.03 0.11 -0.04 3.15 3.18 2d07A1 PHE 252 HB3 -0.51 0.09 0.09 -0.04 3.06 2.69 2d07A1 PHE 252 HD2 -0.15 0.09 -0.22 -0.04 7.28 6.96 2d07A1 PHE 252 HE2 0.09 -0.05 -0.25 -0.04 7.38 7.13 2d07A1 PHE 252 HZ 0.07 -0.12 -0.03 -0.04 7.32 7.21 2d07A1 GLY 253 H -0.35 0.60 0.40 -0.55 8.43 8.54 2d07A1 GLY 253 HA2 -0.84 -0.01 0.35 -0.51 4.01 3.00 2d07A1 GLY 253 HA3 -0.12 0.19 0.95 -0.51 4.01 4.52 2d07A1 LEU 254 H -0.00 0.10 0.17 -0.55 8.37 8.09 2d07A1 LEU 254 HA 0.04 0.16 0.64 -0.75 4.35 4.44 2d07A1 LEU 254 HB2 0.16 -0.06 0.15 -0.04 1.64 1.84 2d07A1 LEU 254 HB3 0.04 -0.02 0.10 -0.04 1.64 1.72 2d07A1 LEU 254 HG 0.04 0.15 -0.00 -0.04 1.64 1.79 2d07A1 LEU 254 HD13 0.12 0.02 -0.00 -0.04 0.93 1.04 2d07A1 LEU 254 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.88 2d07A1 GLN 255 H -0.04 0.57 0.45 -0.55 8.47 8.91 2d07A1 GLN 255 HA -0.09 0.18 0.84 -0.75 4.36 4.53 2d07A1 GLN 255 HB2 -0.03 0.01 0.13 -0.04 2.15 2.21 2d07A1 GLN 255 HB3 0.01 -0.03 0.05 -0.04 2.02 2.01 2d07A1 GLN 255 HG2 -0.35 0.12 -0.06 -0.04 2.40 2.07 2d07A1 GLN 255 HG3 -0.94 -0.10 -0.10 -0.04 2.39 1.20 2d07A1 GLN 255 HE21 -0.25 0.59 -0.02 -0.04 6.97 7.26 2d07A1 GLN 255 HE22 -0.33 0.21 -0.15 -0.04 7.69 7.38 2d07A1 PRO 256 HA -0.15 0.13 0.47 -0.51 4.44 4.39 2d07A1 PRO 256 HB2 -0.32 0.01 0.22 -0.04 2.28 2.14 2d07A1 PRO 256 HB3 -0.16 0.02 0.11 -0.04 2.02 1.95 2d07A1 PRO 256 HG2 -0.51 0.02 -0.01 -0.04 2.03 1.49 2d07A1 PRO 256 HG3 -0.17 0.01 0.07 -0.04 2.03 1.91 2d07A1 PRO 256 HD2 -0.06 0.06 0.17 -0.04 3.68 3.81 2d07A1 PRO 256 HD3 -0.09 0.17 0.17 -0.04 3.65 3.86 2d07A1 HIS 257 H -0.04 0.45 -0.55 -0.55 8.41 7.73 2d07A1 HIS 257 HA -0.16 0.13 0.75 -0.75 4.63 4.60 2d07A1 HIS 257 HB2 -0.24 -0.08 -0.13 -0.04 3.26 2.78 2d07A1 HIS 257 HB3 -0.85 0.13 -0.04 -0.04 3.20 2.39 2d07A1 HIS 257 HD2 -0.12 -0.06 -0.17 -0.04 6.97 6.57 2d07A1 HIS 257 HE1 -0.22 -0.03 0.02 -0.04 7.75 7.48 2d07A1 LYS 258 H 0.12 0.15 0.12 -0.55 8.42 8.26 2d07A1 LYS 258 HA 0.17 0.27 0.83 -0.75 4.32 4.84 2d07A1 LYS 258 HB2 0.11 -0.10 -0.04 -0.04 1.87 1.80 2d07A1 LYS 258 HB3 0.12 0.13 -0.14 -0.04 1.79 1.86 2d07A1 LYS 258 HG2 0.08 0.07 -0.25 -0.04 1.46 1.32 2d07A1 LYS 258 HG3 0.05 -0.12 -0.21 -0.04 1.46 1.14 2d07A1 LYS 258 HD2 0.05 -0.05 -0.03 -0.04 1.69 1.62 2d07A1 LYS 258 HD3 0.06 0.00 -0.06 -0.04 1.68 1.64 2d07A1 LYS 258 HE2 0.04 0.09 -0.07 -0.04 2.99 3.01 2d07A1 LYS 258 HE3 0.03 -0.07 -0.07 -0.04 2.99 2.84 2d07A1 ILE 259 H 0.20 0.50 0.06 -0.55 8.25 8.46 2d07A1 ILE 259 HA 0.38 0.03 0.39 -0.75 4.18 4.23 2d07A1 ILE 259 HB 0.15 -0.06 -0.01 -0.04 1.89 1.92 2d07A1 ILE 259 HG12 0.20 0.13 -0.13 -0.04 1.49 1.65 2d07A1 ILE 259 HG13 0.13 -0.03 -0.11 -0.04 1.21 1.17 2d07A1 ILE 259 HG23 0.19 0.02 -0.13 -0.04 0.93 0.97 2d07A1 ILE 259 HD13 0.32 -0.02 -0.15 -0.04 0.88 0.99 2d07A1 PRO 260 HA 0.14 -0.04 0.38 -0.51 4.44 4.42 2d07A1 PRO 260 HB2 0.06 0.01 0.04 -0.04 2.28 2.35 2d07A1 PRO 260 HB3 0.08 -0.00 0.08 -0.04 2.02 2.15 2d07A1 PRO 260 HG2 -0.01 0.05 0.05 -0.04 2.03 2.09 2d07A1 PRO 260 HG3 0.27 0.05 0.09 -0.04 2.03 2.40 2d07A1 PRO 260 HD2 0.12 0.05 0.14 -0.04 3.68 3.94 2d07A1 PRO 260 HD3 0.32 0.15 0.22 -0.04 3.65 4.30 2d07A1 ASP 261 H 0.08 0.08 0.18 -0.55 8.40 8.19 2d07A1 ASP 261 HA 0.05 -0.04 0.35 -0.75 4.63 4.24 2d07A1 ASP 261 HB2 0.05 0.29 0.02 -0.04 2.71 3.03 2d07A1 ASP 261 HB3 0.04 -0.02 0.21 -0.04 2.70 2.89 2d07A1 THR 262 H 0.09 0.35 -0.11 -0.55 8.28 8.05 2d07A1 THR 262 HA 0.06 0.16 0.69 -0.75 4.39 4.55 2d07A1 THR 262 HB 0.07 -0.06 0.13 -0.04 4.32 4.42 2d07A1 THR 262 HG23 0.07 0.12 -0.34 -0.04 1.22 1.03 2d07A1 GLU 263 H 0.06 0.22 0.11 -0.55 8.60 8.45 2d07A1 GLU 263 HA 0.06 0.14 0.74 -0.75 4.29 4.48 2d07A1 GLU 263 HB2 0.04 0.06 0.06 -0.04 2.09 2.21 2d07A1 GLU 263 HB3 0.04 0.01 0.16 -0.04 1.99 2.15 2d07A1 GLU 263 HG2 0.04 -0.03 -0.11 -0.04 2.34 2.20 2d07A1 GLU 263 HG3 0.03 0.00 -0.01 -0.04 2.34 2.33 2d07A1 THR 264 H 0.08 -0.01 -0.18 -0.55 8.28 7.62 2d07A1 THR 264 HA 0.05 0.30 0.47 -0.75 4.39 4.46 2d07A1 THR 264 HB 0.10 -0.16 0.04 -0.04 4.32 4.26 2d07A1 THR 264 HG23 0.06 0.00 -0.33 -0.04 1.22 0.91 2d07A1 LEU 265 H 0.06 0.59 0.38 -0.55 8.37 8.85 2d07A1 LEU 265 HA 0.10 0.14 0.67 -0.75 4.35 4.51 2d07A1 LEU 265 HB2 0.05 -0.03 0.16 -0.04 1.64 1.78 2d07A1 LEU 265 HB3 0.08 -0.05 0.11 -0.04 1.64 1.73 2d07A1 LEU 265 HG 0.04 0.20 0.17 -0.04 1.64 2.01 2d07A1 LEU 265 HD13 0.03 -0.02 0.02 -0.04 0.93 0.91 2d07A1 LEU 265 HD23 0.05 -0.01 -0.02 -0.04 0.89 0.86 2d07A1 CYS 266 H 0.12 0.31 0.29 -0.55 8.50 8.68 2d07A1 CYS 266 HA 0.29 0.25 1.02 -0.75 4.58 5.39 2d07A1 CYS 266 HB2 0.14 0.00 0.19 -0.04 2.97 3.26 2d07A1 CYS 266 HB3 0.08 -0.06 -0.03 -0.04 2.97 2.92 2d07A1 TYR 267 H 0.27 0.87 0.35 -0.55 8.29 9.23 2d07A1 TYR 267 HA -0.04 0.26 0.84 -0.75 4.56 4.86 2d07A1 TYR 267 HB2 -0.02 0.02 -0.20 -0.04 3.06 2.82 2d07A1 TYR 267 HB3 -0.03 -0.04 -0.03 -0.04 2.98 2.83 2d07A1 TYR 267 HD2 -0.05 -0.03 -0.26 -0.04 7.15 6.77 2d07A1 TYR 267 HE2 -0.04 -0.02 -0.13 -0.04 6.85 6.62 2d07A1 VAL 268 H -0.51 0.66 0.27 -0.55 8.24 8.12 2d07A1 VAL 268 HA -0.01 0.21 1.13 -0.75 4.13 4.70 2d07A1 VAL 268 HB -0.30 0.05 0.11 -0.04 2.12 1.94 2d07A1 VAL 268 HG13 -0.03 -0.01 -0.25 -0.04 0.97 0.63 2d07A1 VAL 268 HG23 -0.73 0.01 -0.17 -0.04 0.95 0.03 2d07A1 MET 269 H -0.01 0.60 0.30 -0.55 8.47 8.80 2d07A1 MET 269 HA -0.54 0.16 0.87 -0.75 4.52 4.26 2d07A1 MET 269 HB2 -0.27 0.04 0.04 -0.04 2.15 1.91 2d07A1 MET 269 HB3 -0.08 0.02 -0.18 -0.04 2.03 1.75 2d07A1 MET 269 HG2 -0.07 0.07 -0.11 -0.04 2.63 2.48 2d07A1 MET 269 HG3 -0.11 0.01 -0.18 -0.04 2.56 2.23 2d07A1 MET 269 HE3 -0.43 -0.00 -0.26 -0.04 2.10 1.37 2d07A1 PRO 270 HA -0.07 -0.12 0.48 -0.51 4.44 4.22 2d07A1 PRO 270 HB2 -0.50 0.14 -0.03 -0.04 2.28 1.84 2d07A1 PRO 270 HB3 -1.32 -0.00 0.09 -0.04 2.02 0.75 2d07A1 PRO 270 HG2 -0.58 0.04 0.02 -0.04 2.03 1.47 2d07A1 PRO 270 HG3 -1.63 0.12 0.06 -0.04 2.03 0.55 2d07A1 PRO 270 HD2 -1.36 0.12 0.23 -0.04 3.68 2.63 2d07A1 PRO 270 HD3 -2.82 0.13 0.14 -0.04 3.65 1.07 2d07A1 SER 271 H 0.06 -0.02 0.20 -0.55 8.46 8.15 2d07A1 SER 271 HA 0.04 0.07 0.19 -0.75 4.49 4.03 2d07A1 SER 271 HB2 0.09 -0.04 0.19 -0.04 3.95 4.15 2d07A1 SER 271 HB3 0.09 0.02 0.16 -0.04 3.93 4.16 2d07A1 SER 272 H 0.02 0.13 0.13 -0.55 8.46 8.19 2d07A1 SER 272 HA 0.09 0.22 0.39 -0.75 4.49 4.44 2d07A1 SER 272 HB2 0.06 -0.22 0.06 -0.04 3.95 3.81 2d07A1 SER 272 HB3 0.07 0.14 0.04 -0.04 3.93 4.14 2d07A1 SER 273 H 0.05 -0.03 -0.30 -0.55 8.46 7.63 2d07A1 SER 273 HA -0.01 0.10 0.60 -0.75 4.49 4.42 2d07A1 SER 273 HB2 0.07 0.02 0.13 -0.04 3.95 4.13 2d07A1 SER 273 HB3 0.05 -0.04 0.07 -0.04 3.93 3.97 2d07A1 ALA 274 H -0.14 0.87 0.34 -0.55 8.40 8.92 2d07A1 ALA 274 HA -0.30 0.14 0.34 -0.75 4.34 3.77 2d07A1 ALA 274 HB3 -0.12 -0.02 0.01 -0.04 1.41 1.25 2d07A1 ARG 275 H -0.00 -0.03 -0.35 -0.55 8.46 7.52 2d07A1 ARG 275 HA 0.04 0.13 0.33 -0.75 4.34 4.09 2d07A1 ARG 275 HB2 0.04 -0.09 -0.03 -0.04 1.90 1.79 2d07A1 ARG 275 HB3 0.04 0.00 0.03 -0.04 1.80 1.83 2d07A1 ARG 275 HG2 0.03 0.07 0.01 -0.04 1.67 1.74 2d07A1 ARG 275 HG3 0.02 -0.03 0.06 -0.04 1.67 1.68 2d07A1 ARG 275 HD2 0.03 0.02 0.01 -0.04 3.22 3.25 2d07A1 ARG 275 HD3 0.03 0.03 0.02 -0.04 3.22 3.26 2d07A1 CYS 276 H 0.06 0.45 -0.53 -0.55 8.50 7.93 2d07A1 CYS 276 HA 0.11 -0.14 0.37 -0.75 4.58 4.17 2d07A1 CYS 276 HB2 0.11 -0.10 0.06 -0.04 2.97 3.01 2d07A1 CYS 276 HB3 0.15 0.29 0.02 -0.04 2.97 3.39 2d07A1 ALA 277 H 0.11 0.02 0.22 -0.55 8.40 8.20 2d07A1 ALA 277 HA 0.09 0.26 0.55 -0.75 4.34 4.48 2d07A1 ALA 277 HB3 0.06 0.01 0.08 -0.04 1.41 1.52 2d07A1 GLN 278 H 0.15 -0.01 -0.03 -0.55 8.47 8.04 2d07A1 GLN 278 HA -0.03 0.10 0.46 -0.75 4.36 4.15 2d07A1 GLN 278 HB2 0.25 -0.05 0.04 -0.04 2.15 2.35 2d07A1 GLN 278 HB3 -0.27 0.05 0.05 -0.04 2.02 1.81 2d07A1 GLN 278 HG2 0.11 0.04 0.04 -0.04 2.40 2.55 2d07A1 GLN 278 HG3 0.05 0.04 0.01 -0.04 2.39 2.45 2d07A1 GLN 278 HE21 0.14 -0.03 0.05 -0.04 6.97 7.08 2d07A1 GLN 278 HE22 0.14 0.06 0.03 -0.04 7.69 7.88 2d07A1 PHE 279 H 0.30 0.09 -0.53 -0.55 8.34 7.65 2d07A1 PHE 279 HA 0.03 0.13 0.68 -0.75 4.62 4.71 2d07A1 PHE 279 HB2 0.03 0.00 -0.01 -0.04 3.15 3.14 2d07A1 PHE 279 HB3 -0.06 0.02 -0.16 -0.04 3.06 2.82 2d07A1 PHE 279 HD2 0.12 0.03 -0.07 -0.04 7.28 7.31 2d07A1 PHE 279 HE2 0.31 -0.02 -0.01 -0.04 7.38 7.62 2d07A1 PHE 279 HZ 0.22 0.01 -0.01 -0.04 7.32 7.49 2d07A1 PRO 280 HA 0.13 0.30 0.40 -0.51 4.44 4.76 2d07A1 PRO 280 HB2 0.06 0.05 -0.12 -0.04 2.28 2.22 2d07A1 PRO 280 HB3 0.08 0.06 0.02 -0.04 2.02 2.14 2d07A1 PRO 280 HG2 -0.01 -0.07 -0.14 -0.04 2.03 1.78 2d07A1 PRO 280 HG3 0.09 -0.02 -0.23 -0.04 2.03 1.82 2d07A1 PRO 280 HD2 -0.04 0.05 0.05 -0.04 3.68 3.69 2d07A1 PRO 280 HD3 0.11 0.29 -0.26 -0.04 3.65 3.75 2d07A1 ARG 281 H -0.07 0.04 -0.24 -0.55 8.46 7.64 2d07A1 ARG 281 HA -0.11 0.33 0.99 -0.75 4.34 4.79 2d07A1 ARG 281 HB2 -0.12 -0.11 -0.02 -0.04 1.90 1.61 2d07A1 ARG 281 HB3 -0.13 -0.06 0.05 -0.04 1.80 1.62 2d07A1 ARG 281 HG2 -0.02 0.12 -0.12 -0.04 1.67 1.61 2d07A1 ARG 281 HG3 -0.02 -0.02 -0.29 -0.04 1.67 1.30 2d07A1 ARG 281 HD2 -0.02 0.00 -0.07 -0.04 3.22 3.09 2d07A1 ARG 281 HD3 0.00 0.10 -0.06 -0.04 3.22 3.22 2d07A1 ALA 282 H -0.65 0.25 0.12 -0.55 8.40 7.58 2d07A1 ALA 282 HA -0.42 0.12 0.35 -0.75 4.34 3.63 2d07A1 ALA 282 HB3 -0.40 0.03 0.07 -0.04 1.41 1.07 2d07A1 GLN 283 H -0.21 0.13 -0.22 -0.55 8.47 7.63 2d07A1 GLN 283 HA -0.22 0.08 0.31 -0.75 4.36 3.78 2d07A1 GLN 283 HB2 -0.07 0.07 0.04 -0.04 2.15 2.14 2d07A1 GLN 283 HB3 -0.10 0.03 0.05 -0.04 2.02 1.97 2d07A1 GLN 283 HG2 -0.08 -0.09 -0.08 -0.04 2.40 2.11 2d07A1 GLN 283 HG3 -0.00 0.04 -0.34 -0.04 2.39 2.05 2d07A1 GLN 283 HE21 0.08 0.03 -0.04 -0.04 6.97 7.00 2d07A1 GLN 283 HE22 0.24 -0.02 -0.11 -0.04 7.69 7.76 2d07A1 ASP 284 H -0.22 0.32 -0.61 -0.55 8.40 7.34 2d07A1 ASP 284 HA -0.49 0.09 0.41 -0.75 4.63 3.88 2d07A1 ASP 284 HB2 -0.17 0.18 -0.08 -0.04 2.71 2.60 2d07A1 ASP 284 HB3 -0.58 0.01 0.06 -0.04 2.70 2.14 2d07A1 LYS 285 H -0.20 0.50 -0.38 -0.55 8.42 7.80 2d07A1 LYS 285 HA 0.02 0.16 0.86 -0.75 4.32 4.60 2d07A1 LYS 285 HB2 -0.06 0.07 0.01 -0.04 1.87 1.84 2d07A1 LYS 285 HB3 0.07 -0.05 -0.03 -0.04 1.79 1.74 2d07A1 LYS 285 HG2 -0.17 -0.05 -0.17 -0.04 1.46 1.02 2d07A1 LYS 285 HG3 0.00 0.05 -0.28 -0.04 1.46 1.19 2d07A1 LYS 285 HD2 0.15 -0.11 -0.15 -0.04 1.69 1.53 2d07A1 LYS 285 HD3 0.06 0.01 -0.26 -0.04 1.68 1.44 2d07A1 LYS 285 HE2 0.15 -0.14 -0.12 -0.04 2.99 2.84 2d07A1 LYS 285 HE3 0.23 0.15 -0.26 -0.04 2.99 3.07 2d07A1 VAL 286 H -0.23 0.32 -0.02 -0.55 8.24 7.76 2d07A1 VAL 286 HA -0.16 0.02 0.32 -0.75 4.13 3.55 2d07A1 VAL 286 HB -0.24 0.09 0.05 -0.04 2.12 1.97 2d07A1 VAL 286 HG13 -0.15 0.02 -0.26 -0.04 0.97 0.55 2d07A1 VAL 286 HG23 -0.25 0.06 -0.06 -0.04 0.95 0.66 2d07A1 HIS 287 H -0.22 0.20 -0.34 -0.55 8.41 7.51 2d07A1 HIS 287 HA -0.14 0.08 0.31 -0.75 4.63 4.13 2d07A1 HIS 287 HB2 -0.25 0.01 -0.00 -0.04 3.26 2.98 2d07A1 HIS 287 HB3 -0.50 0.04 -0.05 -0.04 3.20 2.64 2d07A1 HIS 287 HD2 -0.37 0.01 -0.16 -0.04 6.97 6.40 2d07A1 HIS 287 HE1 -0.01 0.22 -0.44 -0.04 7.75 7.47 2d07A1 TYR 288 H -0.08 0.38 -0.33 -0.55 8.29 7.71 2d07A1 TYR 288 HA 0.04 0.08 0.47 -0.75 4.56 4.39 2d07A1 TYR 288 HB2 -0.04 0.14 0.08 -0.04 3.06 3.20 2d07A1 TYR 288 HB3 0.00 -0.02 0.02 -0.04 2.98 2.95 2d07A1 TYR 288 HD2 -0.13 0.07 0.06 -0.04 7.15 7.10 2d07A1 TYR 288 HE2 -0.16 0.07 0.02 -0.04 6.85 6.74 2d07A1 TYR 289 H 0.32 0.30 -0.17 -0.55 8.29 8.19 2d07A1 TYR 289 HA -0.05 0.04 0.44 -0.75 4.56 4.23 2d07A1 TYR 289 HB2 -0.11 0.15 0.10 -0.04 3.06 3.16 2d07A1 TYR 289 HB3 -0.12 0.02 -0.08 -0.04 2.98 2.75 2d07A1 TYR 289 HD2 -0.10 0.10 -0.13 -0.04 7.15 6.98 2d07A1 TYR 289 HE2 -0.15 0.00 -0.14 -0.04 6.85 6.52 2d07A1 ILE 290 H -0.04 0.46 -0.16 -0.55 8.25 7.97 2d07A1 ILE 290 HA -0.07 0.16 0.46 -0.75 4.18 3.97 2d07A1 ILE 290 HB -0.24 0.08 0.16 -0.04 1.89 1.85 2d07A1 ILE 290 HG12 -0.08 0.17 0.10 -0.04 1.49 1.64 2d07A1 ILE 290 HG13 -0.08 0.08 -0.00 -0.04 1.21 1.16 2d07A1 ILE 290 HG23 -0.10 -0.00 -0.06 -0.04 0.93 0.72 2d07A1 ILE 290 HD13 -0.05 -0.02 -0.05 -0.04 0.88 0.72 2d07A1 LYS 291 H -0.19 0.51 -0.11 -0.55 8.42 8.07 2d07A1 LYS 291 HA -0.10 0.04 0.42 -0.75 4.32 3.93 2d07A1 LYS 291 HB2 0.08 0.05 0.11 -0.04 1.87 2.07 2d07A1 LYS 291 HB3 0.06 -0.04 0.06 -0.04 1.79 1.82 2d07A1 LYS 291 HG2 -0.61 0.24 0.10 -0.04 1.46 1.15 2d07A1 LYS 291 HG3 -0.08 -0.04 0.02 -0.04 1.46 1.32 2d07A1 LYS 291 HD2 -0.16 -0.05 -0.07 -0.04 1.69 1.37 2d07A1 LYS 291 HD3 -0.19 0.09 0.00 -0.04 1.68 1.54 2d07A1 LYS 291 HE2 0.04 0.00 0.02 -0.04 2.99 3.01 2d07A1 LYS 291 HE3 -0.00 -0.05 0.06 -0.04 2.99 2.95 2d07A1 LEU 292 H -0.14 0.34 -0.48 -0.55 8.37 7.54 2d07A1 LEU 292 HA -0.60 0.00 0.41 -0.75 4.35 3.40 2d07A1 LEU 292 HB2 -0.65 0.00 0.04 -0.04 1.64 0.99 2d07A1 LEU 292 HB3 -0.26 0.14 0.13 -0.04 1.64 1.61 2d07A1 LEU 292 HG -0.25 0.04 -0.29 -0.04 1.64 1.10 2d07A1 LEU 292 HD13 -0.52 -0.02 -0.06 -0.04 0.93 0.29 2d07A1 LEU 292 HD23 -0.29 -0.02 -0.11 -0.04 0.89 0.42 2d07A1 LYS 293 H -0.12 0.52 -0.20 -0.55 8.42 8.07 2d07A1 LYS 293 HA -0.08 0.02 0.40 -0.75 4.32 3.90 2d07A1 LYS 293 HB2 -0.06 0.02 0.07 -0.04 1.87 1.86 2d07A1 LYS 293 HB3 -0.07 0.17 0.16 -0.04 1.79 2.01 2d07A1 LYS 293 HG2 -0.04 -0.07 -0.20 -0.04 1.46 1.11 2d07A1 LYS 293 HG3 -0.03 -0.02 -0.02 -0.04 1.46 1.36 2d07A1 LYS 293 HD2 -0.02 0.02 -0.10 -0.04 1.69 1.56 2d07A1 LYS 293 HD3 -0.04 0.01 -0.30 -0.04 1.68 1.32 2d07A1 LYS 293 HE2 -0.05 0.01 0.04 -0.04 2.99 2.94 2d07A1 LYS 293 HE3 -0.03 -0.10 -0.04 -0.04 2.99 2.77 2d07A1 ASP 294 H -0.09 0.51 -0.18 -0.55 8.40 8.10 2d07A1 ASP 294 HA -0.04 0.01 0.39 -0.75 4.63 4.23 2d07A1 ASP 294 HB2 -0.06 0.15 0.19 -0.04 2.71 2.95 2d07A1 ASP 294 HB3 -0.03 -0.05 -0.02 -0.04 2.70 2.56 2d07A1 LEU 295 H -0.10 0.59 -0.12 -0.55 8.37 8.19 2d07A1 LEU 295 HA -0.04 -0.02 0.40 -0.75 4.35 3.93 2d07A1 LEU 295 HB2 -0.08 -0.02 0.12 -0.04 1.64 1.63 2d07A1 LEU 295 HB3 -0.20 0.10 0.18 -0.04 1.64 1.68 2d07A1 LEU 295 HG -0.07 0.04 -0.24 -0.04 1.64 1.33 2d07A1 LEU 295 HD13 0.00 -0.01 0.02 -0.04 0.93 0.89 2d07A1 LEU 295 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.69 2d07A1 ARG 296 H -0.11 0.69 -0.15 -0.55 8.46 8.33 2d07A1 ARG 296 HA -0.06 -0.01 0.35 -0.75 4.34 3.87 2d07A1 ARG 296 HB2 -0.10 0.04 0.10 -0.04 1.90 1.89 2d07A1 ARG 296 HB3 -0.06 0.12 0.17 -0.04 1.80 1.98 2d07A1 ARG 296 HG2 -0.04 -0.05 0.02 -0.04 1.67 1.56 2d07A1 ARG 296 HG3 -0.04 -0.01 -0.03 -0.04 1.67 1.55 2d07A1 ARG 296 HD2 -0.02 -0.06 -0.35 -0.04 3.22 2.75 2d07A1 ARG 296 HD3 -0.00 0.02 -0.05 -0.04 3.22 3.14 2d07A1 ASP 297 H -0.04 0.68 -0.11 -0.55 8.40 8.38 2d07A1 ASP 297 HA -0.01 -0.04 0.43 -0.75 4.63 4.25 2d07A1 ASP 297 HB2 -0.02 0.11 0.23 -0.04 2.71 2.99 2d07A1 ASP 297 HB3 -0.01 0.11 0.06 -0.04 2.70 2.81 2d07A1 GLN 298 H -0.02 0.64 -0.03 -0.55 8.47 8.51 2d07A1 GLN 298 HA -0.01 -0.01 0.42 -0.75 4.36 4.01 2d07A1 GLN 298 HB2 -0.01 0.12 0.18 -0.04 2.15 2.40 2d07A1 GLN 298 HB3 -0.01 -0.06 0.02 -0.04 2.02 1.94 2d07A1 GLN 298 HG2 -0.00 -0.06 0.04 -0.04 2.40 2.33 2d07A1 GLN 298 HG3 -0.01 0.05 0.07 -0.04 2.39 2.45 2d07A1 GLN 298 HE21 -0.00 -0.06 -0.06 -0.04 6.97 6.80 2d07A1 GLN 298 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.60 2d07A1 LEU 299 H -0.02 0.57 -0.17 -0.55 8.37 8.20 2d07A1 LEU 299 HA -0.00 -0.01 0.46 -0.75 4.35 4.05 2d07A1 LEU 299 HB2 -0.02 0.17 0.19 -0.04 1.64 1.94 2d07A1 LEU 299 HB3 -0.01 -0.03 -0.01 -0.04 1.64 1.56 2d07A1 LEU 299 HG 0.00 -0.02 0.05 -0.04 1.64 1.63 2d07A1 LEU 299 HD13 -0.00 0.01 -0.00 -0.04 0.93 0.89 2d07A1 LEU 299 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 2d07A1 LYS 300 H -0.01 0.43 -0.10 -0.55 8.42 8.19 2d07A1 LYS 300 HA 0.00 0.11 0.67 -0.75 4.32 4.34 2d07A1 LYS 300 HB2 -0.00 -0.00 0.08 -0.04 1.87 1.90 2d07A1 LYS 300 HB3 0.00 -0.06 0.11 -0.04 1.79 1.80 2d07A1 LYS 300 HG2 -0.00 -0.02 -0.00 -0.04 1.46 1.39 2d07A1 LYS 300 HG3 -0.01 0.20 0.08 -0.04 1.46 1.69 2d07A1 LYS 300 HD2 -0.00 -0.03 0.01 -0.04 1.69 1.62 2d07A1 LYS 300 HD3 -0.00 -0.02 -0.03 -0.04 1.68 1.59 2d07A1 LYS 300 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2d07A1 LYS 300 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 2d07A1 GLY 301 H -0.00 0.31 -0.34 -0.55 8.43 7.85 2d07A1 GLY 301 HA2 -0.00 0.01 0.26 -0.51 4.01 3.77 2d07A1 GLY 301 HA3 0.00 0.04 0.52 -0.51 4.01 4.06 2d07A1 ILE 302 H -0.00 0.56 0.02 -0.55 8.25 8.27 2d07A1 ILE 302 HA -0.00 0.07 0.61 -0.75 4.18 4.11 2d07A1 ILE 302 HB -0.00 -0.05 0.16 -0.04 1.89 1.96 2d07A1 ILE 302 HG12 0.00 0.01 -0.08 -0.04 1.49 1.38 2d07A1 ILE 302 HG13 -0.00 0.02 -0.14 -0.04 1.21 1.06 2d07A1 ILE 302 HG23 0.00 -0.03 -0.20 -0.04 0.93 0.66 2d07A1 ILE 302 HD13 0.00 -0.00 -0.03 -0.04 0.88 0.81 2d07A1 GLU 303 H -0.00 0.18 0.08 -0.55 8.60 8.32 2d07A1 GLU 303 HA -0.00 0.13 0.73 -0.75 4.29 4.39 2d07A1 GLU 303 HB2 -0.00 -0.04 0.19 -0.04 2.09 2.20 2d07A1 GLU 303 HB3 -0.00 0.01 0.05 -0.04 1.99 2.01 2d07A1 GLU 303 HG2 -0.00 0.01 -0.08 -0.04 2.34 2.23 2d07A1 GLU 303 HG3 -0.00 0.12 -0.14 -0.04 2.34 2.28 2d07A1 ARG 304 H -0.01 0.22 0.02 -0.55 8.46 8.14 2d07A1 ARG 304 HA -0.00 0.08 0.45 -0.75 4.34 4.11 2d07A1 ARG 304 HB2 -0.01 0.05 0.02 -0.04 1.90 1.92 2d07A1 ARG 304 HB3 -0.01 0.01 -0.06 -0.04 1.80 1.69 2d07A1 ARG 304 HG2 -0.01 0.05 0.01 -0.04 1.67 1.67 2d07A1 ARG 304 HG3 -0.01 -0.26 0.16 -0.04 1.67 1.52 2d07A1 ARG 304 HD2 -0.00 0.00 0.03 -0.04 3.22 3.21 2d07A1 ARG 304 HD3 -0.00 -0.01 0.02 -0.04 3.22 3.19 2d07A1 ASN 305 H -0.00 0.13 0.14 -0.55 8.53 8.25 2d07A1 ASN 305 HA -0.00 0.13 0.63 -0.75 4.76 4.76 2d07A1 ASN 305 HB2 -0.00 0.07 0.10 -0.04 2.88 3.01 2d07A1 ASN 305 HB3 -0.00 0.02 0.17 -0.04 2.79 2.93 2d07A1 ASN 305 HD21 -0.00 0.01 -0.00 -0.04 7.03 6.99 2d07A1 ASN 305 HD22 -0.00 0.05 0.02 -0.04 7.74 7.77 2d07A1 MET 306 H -0.00 0.19 0.09 -0.55 8.47 8.20 2d07A1 MET 306 HA -0.00 0.20 0.54 -0.75 4.52 4.51 2d07A1 MET 306 HB2 0.00 -0.01 0.06 -0.04 2.15 2.17 2d07A1 MET 306 HB3 0.00 -0.00 0.10 -0.04 2.03 2.09 2d07A1 MET 306 HG2 -0.00 0.09 -0.05 -0.04 2.63 2.63 2d07A1 MET 306 HG3 0.00 -0.00 -0.02 -0.04 2.56 2.49 2d07A1 MET 306 HE3 0.00 -0.01 -0.05 -0.04 2.10 2.00 2d07A1 ASP 307 H -0.00 0.09 -0.53 -0.55 8.40 7.42 2d07A1 ASP 307 HA -0.00 0.09 0.45 -0.75 4.63 4.42 2d07A1 ASP 307 HB2 -0.00 -0.01 0.05 -0.04 2.71 2.71 2d07A1 ASP 307 HB3 -0.00 0.02 -0.05 -0.04 2.70 2.63 2d07A1 VAL 308 H -0.00 0.19 -0.09 -0.55 8.24 7.78 2d07A1 VAL 308 HA 0.00 0.18 0.85 -0.75 4.13 4.40 2d07A1 VAL 308 HB -0.01 0.00 0.11 -0.04 2.12 2.18 2d07A1 VAL 308 HG13 -0.00 -0.00 -0.15 -0.04 0.97 0.77 2d07A1 VAL 308 HG23 -0.00 -0.01 -0.14 -0.04 0.95 0.76 2d07A1 GLN 309 H 0.01 0.23 0.01 -0.55 8.47 8.17 2d07A1 GLN 309 HA 0.00 0.21 0.87 -0.75 4.36 4.68 2d07A1 GLN 309 HB2 0.01 -0.04 -0.01 -0.04 2.15 2.08 2d07A1 GLN 309 HB3 0.01 0.05 -0.11 -0.04 2.02 1.93 2d07A1 GLN 309 HG2 0.00 0.04 -0.18 -0.04 2.40 2.23 2d07A1 GLN 309 HG3 0.00 0.01 -0.38 -0.04 2.39 1.97 2d07A1 GLN 309 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.87 2d07A1 GLN 309 HE22 0.00 0.27 -0.02 -0.04 7.69 7.91 2d07A1 GLU 310 H 0.02 0.22 0.05 -0.55 8.60 8.34 2d07A1 GLU 310 HA 0.05 0.07 0.67 -0.75 4.29 4.33 2d07A1 GLU 310 HB2 0.04 0.04 0.03 -0.04 2.09 2.16 2d07A1 GLU 310 HB3 0.06 0.02 0.13 -0.04 1.99 2.16 2d07A1 GLU 310 HG2 0.25 -0.04 -0.35 -0.04 2.34 2.17 2d07A1 GLU 310 HG3 0.11 0.02 -0.03 -0.04 2.34 2.40 2d07A1 VAL 311 H 0.05 0.18 0.18 -0.55 8.24 8.11 2d07A1 VAL 311 HA 0.09 0.13 0.45 -0.75 4.13 4.04 2d07A1 VAL 311 HB 0.02 -0.04 0.10 -0.04 2.12 2.17 2d07A1 VAL 311 HG13 0.03 -0.00 -0.09 -0.04 0.97 0.86 2d07A1 VAL 311 HG23 0.03 0.04 0.00 -0.04 0.95 0.98 2d07A1 GLN 312 H 0.02 0.18 0.07 -0.55 8.47 8.20 2d07A1 GLN 312 HA -0.30 0.14 0.57 -0.75 4.36 4.01 2d07A1 GLN 312 HB2 -0.03 0.16 -0.22 -0.04 2.15 2.02 2d07A1 GLN 312 HB3 -0.03 -0.06 -0.12 -0.04 2.02 1.76 2d07A1 GLN 312 HG2 -0.08 -0.06 -0.37 -0.04 2.40 1.85 2d07A1 GLN 312 HG3 -0.08 0.04 0.01 -0.04 2.39 2.32 2d07A1 GLN 312 HE21 -0.02 -0.02 -0.04 -0.04 6.97 6.86 2d07A1 GLN 312 HE22 -0.02 0.03 -0.03 -0.04 7.69 7.64 2d07A1 TYR 313 H -0.27 0.31 0.13 -0.55 8.29 7.91 2d07A1 TYR 313 HA -0.07 0.15 0.79 -0.75 4.56 4.67 2d07A1 TYR 313 HB2 -0.13 0.03 -0.07 -0.04 3.06 2.85 2d07A1 TYR 313 HB3 -0.24 -0.02 0.07 -0.04 2.98 2.74 2d07A1 TYR 313 HD2 0.09 0.00 -0.14 -0.04 7.15 7.05 2d07A1 TYR 313 HE2 -0.03 -0.04 -0.11 -0.04 6.85 6.62 2d07A1 THR 314 H -0.42 0.27 0.14 -0.55 8.28 7.72 2d07A1 THR 314 HA -0.05 0.19 0.91 -0.75 4.39 4.68 2d07A1 THR 314 HB -0.14 -0.01 0.03 -0.04 4.32 4.16 2d07A1 THR 314 HG23 -0.11 0.00 -0.06 -0.04 1.22 1.01 2d07A1 PHE 315 H -0.22 0.27 0.18 -0.55 8.34 8.02 2d07A1 PHE 315 HA -0.17 0.18 0.76 -0.75 4.62 4.64 2d07A1 PHE 315 HB2 -0.00 -0.03 0.04 -0.04 3.15 3.11 2d07A1 PHE 315 HB3 -0.14 0.07 -0.25 -0.04 3.06 2.70 2d07A1 PHE 315 HD2 0.17 -0.00 -0.31 -0.04 7.28 7.10 2d07A1 PHE 315 HE2 0.11 0.05 0.01 -0.04 7.38 7.51 2d07A1 PHE 315 HZ -0.45 0.25 0.12 -0.04 7.32 7.20 2d07A1 ASP 316 H 0.12 0.20 0.13 -0.55 8.40 8.30 2d07A1 ASP 316 HA -0.11 0.17 0.81 -0.75 4.63 4.75 2d07A1 ASP 316 HB2 -0.02 0.11 0.07 -0.04 2.71 2.83 2d07A1 ASP 316 HB3 0.03 -0.00 0.20 -0.04 2.70 2.89 2d07A1 LEU 317 H -0.13 0.26 0.18 -0.55 8.37 8.13 2d07A1 LEU 317 HA 0.27 0.12 0.35 -0.75 4.35 4.34 2d07A1 LEU 317 HB2 -0.09 0.03 0.22 -0.04 1.64 1.75 2d07A1 LEU 317 HB3 0.00 -0.01 0.07 -0.04 1.64 1.67 2d07A1 LEU 317 HG 0.02 0.12 0.12 -0.04 1.64 1.86 2d07A1 LEU 317 HD13 -0.02 -0.00 0.04 -0.04 0.93 0.90 2d07A1 LEU 317 HD23 0.12 0.02 0.04 -0.04 0.89 1.03 2d07A1 GLN 318 H 0.01 0.12 -0.03 -0.55 8.47 8.03 2d07A1 GLN 318 HA 0.03 0.12 0.42 -0.75 4.36 4.18 2d07A1 LEU 319 H 0.04 0.09 -0.18 -0.55 8.37 7.78 2d07A1 LEU 319 HA 0.03 0.07 0.46 -0.75 4.35 4.16 2d07A1 LEU 319 HB2 0.05 0.04 0.11 -0.04 1.64 1.81 2d07A1 LEU 319 HB3 0.04 0.04 0.05 -0.04 1.64 1.73 2d07A1 LEU 319 HG 0.02 -0.09 0.04 -0.04 1.64 1.57 2d07A1 LEU 319 HD13 0.01 0.01 0.03 -0.04 0.93 0.94 2d07A1 LEU 319 HD23 0.02 0.02 0.02 -0.04 0.89 0.90 2d07A1 ALA 320 H 0.12 0.44 -0.22 -0.55 8.40 8.20 2d07A1 ALA 320 HA 0.06 0.02 0.44 -0.75 4.34 4.10 2d07A1 ALA 320 HB3 0.17 0.01 0.06 -0.04 1.41 1.61 2d07A1 GLN 321 H 0.08 0.64 0.03 -0.55 8.47 8.67 2d07A1 GLN 321 HA 0.06 0.07 0.52 -0.75 4.36 4.26 2d07A1 GLN 321 HB2 0.05 -0.01 0.05 -0.04 2.15 2.20 2d07A1 GLN 321 HB3 0.06 0.05 0.11 -0.04 2.02 2.20 2d07A1 GLN 321 HG2 0.06 0.26 0.29 -0.04 2.40 2.96 2d07A1 GLN 321 HG3 0.04 0.00 0.09 -0.04 2.39 2.48 2d07A1 GLN 321 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.90 2d07A1 GLN 321 HE22 0.03 -0.08 -0.00 -0.04 7.69 7.59 2d07A1 GLU 322 H 0.04 0.45 -0.15 -0.55 8.60 8.40 2d07A1 GLU 322 HA 0.03 0.05 0.46 -0.75 4.29 4.08 2d07A1 GLU 322 HB2 0.03 0.04 0.19 -0.04 2.09 2.31 2d07A1 GLU 322 HB3 0.02 -0.02 0.04 -0.04 1.99 1.99 2d07A1 GLU 322 HG2 0.02 -0.03 0.05 -0.04 2.34 2.34 2d07A1 GLU 322 HG3 0.03 0.39 0.16 -0.04 2.34 2.88 2d07A1 ASP 323 H 0.03 0.63 -0.06 -0.55 8.40 8.46 2d07A1 ASP 323 HA 0.02 -0.01 0.40 -0.75 4.63 4.29 2d07A1 ASP 323 HB2 0.03 0.04 0.16 -0.04 2.71 2.90 2d07A1 ASP 323 HB3 0.03 0.08 0.15 -0.04 2.70 2.92 2d07A1 ALA 324 H 0.03 0.39 -0.44 -0.55 8.40 7.83 2d07A1 ALA 324 HA 0.03 -0.03 0.38 -0.75 4.34 3.96 2d07A1 ALA 324 HB3 0.05 0.04 0.05 -0.04 1.41 1.52 2d07A1 LYS 325 H 0.03 0.45 -0.20 -0.55 8.42 8.15 2d07A1 LYS 325 HA 0.03 0.02 0.45 -0.75 4.32 4.07 2d07A1 LYS 326 H 0.02 0.52 -0.00 -0.55 8.42 8.41 2d07A1 LYS 326 HA 0.02 -0.01 0.37 -0.75 4.32 3.94 2d07A1 LYS 326 HB2 0.02 0.07 0.11 -0.04 1.87 2.02 2d07A1 LYS 326 HB3 0.02 -0.02 0.03 -0.04 1.79 1.77 2d07A1 LYS 326 HG2 0.02 -0.05 0.03 -0.04 1.46 1.42 2d07A1 LYS 326 HG3 0.02 0.34 0.06 -0.04 1.46 1.84 2d07A1 LYS 326 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 2d07A1 LYS 326 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.63 2d07A1 LYS 326 HE2 0.02 -0.07 -0.29 -0.04 2.99 2.60 2d07A1 LYS 326 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.88 2d07A1 MET 327 H 0.02 0.49 -0.20 -0.55 8.47 8.24 2d07A1 MET 327 HA 0.02 0.01 0.36 -0.75 4.52 4.15 2d07A1 MET 327 HB2 0.03 0.13 0.13 -0.04 2.15 2.40 2d07A1 MET 327 HB3 0.02 -0.05 0.04 -0.04 2.03 2.00 2d07A1 MET 327 HG2 0.01 -0.06 0.05 -0.04 2.63 2.59 2d07A1 MET 327 HG3 0.02 0.25 0.13 -0.04 2.56 2.91 2d07A1 MET 327 HE3 -0.01 -0.02 0.01 -0.04 2.10 2.04 2d07A1 ALA 328 H 0.03 0.29 -0.40 -0.55 8.40 7.77 2d07A1 ALA 328 HA 0.04 -0.04 0.42 -0.75 4.34 4.00 2d07A1 ALA 328 HB3 0.04 0.01 0.16 -0.04 1.41 1.58 2d07A1 VAL 329 H 0.02 0.37 0.06 -0.55 8.24 8.15 2d07A1 VAL 329 HA 0.02 -0.08 0.35 -0.75 4.13 3.67 2d07A1 VAL 329 HB 0.01 -0.08 0.06 -0.04 2.12 2.07 2d07A1 VAL 329 HG13 0.02 -0.00 0.05 -0.04 0.97 0.99 2d07A1 VAL 329 HG23 0.02 0.06 0.00 -0.04 0.95 0.98 2d07A1 LYS 330 H 0.02 0.19 -0.57 -0.55 8.42 7.50 2d07A1 LYS 330 HA 0.01 0.05 0.38 -0.75 4.32 4.01